N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide

C26H34FN3O3 — CID 153013389

IUPACN-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C45CC6CC(C4)C(C5)C6O)C3=O)C2)c(F)c1
InChIInChI=1S/C26H34FN3O3/c1-2-22(31)28-18-4-5-21(20(27)11-18)29-8-3-6-25(15-29)7-9-30(24(25)33)26-12-16-10-17(13-26)23(32)19(16)14-26/h4-5,11,16-17,19,23,32H,2-3,6-10,12-15H2,1H3,(H,28,31)/t16?,17?,19?,23?,25-,26?/m1/s1
InChIKeyVAMNJXBRGJYGTJ-MWWRVVOVSA-N
MW455.57 g/mol
LogP3.54
Rot. Bonds4

About N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide

N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide (PubChem CID 153013389) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide
PubChem CID153013389
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC NameN-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C45CC6CC(C4)C(C5)C6O)C3=O)C2)c(F)c1
InChIInChI=1S/C26H34FN3O3/c1-2-22(31)28-18-4-5-21(20(27)11-18)29-8-3-6-25(15-29)7-9-30(24(25)33)26-12-16-10-17(13-26)23(32)19(16)14-26/h4-5,11,16-17,19,23,32H,2-3,6-10,12-15H2,1H3,(H,28,31)/t16?,17?,19?,23?,25-,26?/m1/s1
InChIKeyVAMNJXBRGJYGTJ-MWWRVVOVSA-N
XLogP3.54
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide with MolForge

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Related Compounds

N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide
CID 58653426
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653413
ethyl-[3-fluoro-4-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]carbamic acid
CID 66722196
ethyl N-[4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]carbamate
CID 76677787
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
(5S)-9-(4-amino-2-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722729
methyl N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-(trifluoromethyl)phenyl]carbamate
CID 58653373
3-fluoro-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]benzonitrile
CID 11667853
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide?
The IUPAC name of N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide (CID 153013389) is N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide?
The canonical SMILES for N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide is CCC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C45CC6CC(C4)C(C5)C6O)C3=O)C2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide?
The InChIKey is VAMNJXBRGJYGTJ-MWWRVVOVSA-N. The full InChI is InChI=1S/C26H34FN3O3/c1-2-22(31)28-18-4-5-21(20(27)11-18)29-8-3-6-25(15-29)7-9-30(24(25)33)26-12-16-10-17(13-26)23(32)19(16)14-26/h4-5,11,16-17,19,23,32H,2-3,6-10,12-15H2,1H3,(H,28,31)/t16?,17?,19?,23?,25-,26?/m1/s1.
What are the key properties of N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide?
N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide has a molecular weight of 455.57 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide is sourced from PubChem (CID 153013389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).