8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide

C27H46FN7O3 — CID 123469740

IUPAC8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide
SMILESNC1C(C(=O)NC2CNCCC2N2CCC(C(=O)N3CCOCC3)CC2)C2NC(C3CCCC3)C(F)CN12
InChIInChI=1S/C27H46FN7O3/c28-19-16-35-24(29)22(25(35)32-23(19)17-3-1-2-4-17)26(36)31-20-15-30-8-5-21(20)33-9-6-18(7-10-33)27(37)34-11-13-38-14-12-34/h17-25,30,32H,1-16,29H2,(H,31,36)
InChIKeyRKNVAJQFFIANQO-UHFFFAOYSA-N
MW535.71 g/mol
LogP-0.55
Rot. Bonds5

About 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide

8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 123469740) has the molecular formula C27H46FN7O3 and a molecular weight of 535.71 g/mol. Its IUPAC name is 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound Name8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide
PubChem CID123469740
Molecular FormulaC27H46FN7O3
Molecular Weight535.71 g/mol
Exact Mass535.36
IUPAC Name8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide
SMILESNC1C(C(=O)NC2CNCCC2N2CCC(C(=O)N3CCOCC3)CC2)C2NC(C3CCCC3)C(F)CN12
InChIInChI=1S/C27H46FN7O3/c28-19-16-35-24(29)22(25(35)32-23(19)17-3-1-2-4-17)26(36)31-20-15-30-8-5-21(20)33-9-6-18(7-10-33)27(37)34-11-13-38-14-12-34/h17-25,30,32H,1-16,29H2,(H,31,36)
InChIKeyRKNVAJQFFIANQO-UHFFFAOYSA-N
XLogP-0.55
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.71
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643738
2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140800775
2-amino-5-cyclohexyl-N-[4-[4-[3-(dimethylamino)propylcarbamoyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138645679
2-amino-6-fluoro-N-[4-(4-methylsulfonylpiperidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643838
[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 110883607
4-amino-12-ethyl-9-fluoro-1,2,12-trimethyl-N-(4-morpholin-4-ylpiperidin-3-yl)-5-aza-1-azoniabicyclo[4.4.2]dodecane-3-carboxamide
CID 123873087
2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]piperidin-3-yl]-6-chloro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644105
2-amino-N-[4-(2-cyclopropylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577653
3,3-diamino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-(4-fluoro-2-aza-6-azoniaspiro[5.5]undec-2-en-1-yl)propanamide
CID 157204413
2-amino-6-fluoro-N-[4-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644141
N-[4-[(3aR,7aR)-2-methyl-3-oxo-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]piperidin-3-yl]-2-amino-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643866
2-amino-6-fluoro-N-(4-imidazolidin-1-ylpiperidin-3-yl)-1,2,3,3a,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133111

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide (CID 123469740) is 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide is NC1C(C(=O)NC2CNCCC2N2CCC(C(=O)N3CCOCC3)CC2)C2NC(C3CCCC3)C(F)CN12.
What is the InChIKey of 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is RKNVAJQFFIANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46FN7O3/c28-19-16-35-24(29)22(25(35)32-23(19)17-3-1-2-4-17)26(36)31-20-15-30-8-5-21(20)33-9-6-18(7-10-33)27(37)34-11-13-38-14-12-34/h17-25,30,32H,1-16,29H2,(H,31,36).
What are the key properties of 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide?
8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 535.71 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-cyclopentyl-3-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,5-diazabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 123469740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).