N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

C21H26N4O3 — CID 125174868

IUPACN-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-22-20(27)16-6-8-17(9-7-16)24-21(28)25-13-10-15(11-14-25)19(26)18-5-3-4-12-23-18/h3-9,12,15,19,26H,2,10-11,13-14H2,1H3,(H,22,27)(H,24,28)/t19-/m0/s1
InChIKeyIRWUHXVCOUMBCA-IBGZPJMESA-N
MW382.46 g/mol
LogP2.81
Rot. Bonds5

About N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 125174868) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID125174868
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-22-20(27)16-6-8-17(9-7-16)24-21(28)25-13-10-15(11-14-25)19(26)18-5-3-4-12-23-18/h3-9,12,15,19,26H,2,10-11,13-14H2,1H3,(H,22,27)(H,24,28)/t19-/m0/s1
InChIKeyIRWUHXVCOUMBCA-IBGZPJMESA-N
XLogP2.81
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-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

N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 72853230
4-[hydroxy(pyridin-2-yl)methyl]-N-(2-methyl-1-benzofuran-5-yl)piperidine-1-carboxamide
CID 72913425
N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125172195
N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 97268082
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 97438061
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 72876027
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(1H-indazol-7-yl)piperidine-1-carboxamide
CID 125154869
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 126445664
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (CID 125174868) is N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is CCNC(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is IRWUHXVCOUMBCA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-22-20(27)16-6-8-17(9-7-16)24-21(28)25-13-10-15(11-14-25)19(26)18-5-3-4-12-23-18/h3-9,12,15,19,26H,2,10-11,13-14H2,1H3,(H,22,27)(H,24,28)/t19-/m0/s1.
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125174868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).