N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide

C26H36N2O3 — CID 11906634

IUPACN-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc([C@@H]2C[C@@H]3CN(C(=O)C4CCCC4)CC[C@@H]3O2)c1)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c29-25(18-7-2-1-3-8-18)27-22-12-6-11-20(15-22)24-16-21-17-28(14-13-23(21)31-24)26(30)19-9-4-5-10-19/h6,11-12,15,18-19,21,23-24H,1-5,7-10,13-14,16-17H2,(H,27,29)/t21-,23+,24+/m1/s1
InChIKeyNPBPPYKWWMVRDE-NHTMILBNSA-N
MW424.59 g/mol
LogP5.07
Rot. Bonds4

About N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide

N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 11906634) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID11906634
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc([C@@H]2C[C@@H]3CN(C(=O)C4CCCC4)CC[C@@H]3O2)c1)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c29-25(18-7-2-1-3-8-18)27-22-12-6-11-20(15-22)24-16-21-17-28(14-13-23(21)31-24)26(30)19-9-4-5-10-19/h6,11-12,15,18-19,21,23-24H,1-5,7-10,13-14,16-17H2,(H,27,29)/t21-,23+,24+/m1/s1
InChIKeyNPBPPYKWWMVRDE-NHTMILBNSA-N
XLogP5.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide 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-[3-[(2R,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopentanecarboxamide
CID 11894641
N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2-chloroacetamide
CID 11903434
N-[3-[(2S,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dichloroacetamide
CID 11903343
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
CID 5113847
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
CID 3515679
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 4038804
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3980973
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide (CID 11906634) is N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc([C@@H]2C[C@@H]3CN(C(=O)C4CCCC4)CC[C@@H]3O2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is NPBPPYKWWMVRDE-NHTMILBNSA-N. The full InChI is InChI=1S/C26H36N2O3/c29-25(18-7-2-1-3-8-18)27-22-12-6-11-20(15-22)24-16-21-17-28(14-13-23(21)31-24)26(30)19-9-4-5-10-19/h6,11-12,15,18-19,21,23-24H,1-5,7-10,13-14,16-17H2,(H,27,29)/t21-,23+,24+/m1/s1.
What are the key properties of N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 424.59 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 11906634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).