N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide

C28H40N4O4 — CID 143609091

IUPACN-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](N)[C@H]5OCC(=O)[C@H]54)CCCCC3)cc2)CC1
InChIInChI=1S/C28H40N4O4/c1-2-14-31-15-10-20(11-16-31)19-6-8-21(9-7-19)26(34)30-28(12-4-3-5-13-28)27(35)32-17-22(29)25-24(32)23(33)18-36-25/h6-9,20,22,24-25H,2-5,10-18,29H2,1H3,(H,30,34)/t22-,24-,25-/m1/s1
InChIKeyYQOGAEPUORFGSG-QLBJFCOMSA-N
MW496.65 g/mol
LogP2.21
Rot. Bonds6

About N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide

N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide (PubChem CID 143609091) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide
PubChem CID143609091
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC NameN-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](N)[C@H]5OCC(=O)[C@H]54)CCCCC3)cc2)CC1
InChIInChI=1S/C28H40N4O4/c1-2-14-31-15-10-20(11-16-31)19-6-8-21(9-7-19)26(34)30-28(12-4-3-5-13-28)27(35)32-17-22(29)25-24(32)23(33)18-36-25/h6-9,20,22,24-25H,2-5,10-18,29H2,1H3,(H,30,34)/t22-,24-,25-/m1/s1
InChIKeyYQOGAEPUORFGSG-QLBJFCOMSA-N
XLogP2.21
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide 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

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide
CID 24891453
N-[1-[(3aS,6R,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-propylpiperazin-1-yl)benzamide
CID 143609073
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 143609055
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 143608966
N-[1-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 143608946
N-[1-[(3aS,6S,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
CID 24891655
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 24891265
N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
CID 24891317
N-[(1S)-2-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(4-propylpiperazin-1-yl)benzamide
CID 68510644
N-[1-[(3aS,6S,6aS)-6-azido-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-cyclobutylpiperidin-4-yl)benzamide
CID 143609004
N-[1-[(3aS,6S,6aS)-6-ethoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24891014
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24891220

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide (CID 143609091) is N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](N)[C@H]5OCC(=O)[C@H]54)CCCCC3)cc2)CC1.
What is the InChIKey of N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is YQOGAEPUORFGSG-QLBJFCOMSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-2-14-31-15-10-20(11-16-31)19-6-8-21(9-7-19)26(34)30-28(12-4-3-5-13-28)27(35)32-17-22(29)25-24(32)23(33)18-36-25/h6-9,20,22,24-25H,2-5,10-18,29H2,1H3,(H,30,34)/t22-,24-,25-/m1/s1.
What are the key properties of N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide?
N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 496.65 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3aS,6R,6aR)-6-amino-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 143609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).