N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide

C23H35N5O3 — CID 92757124

IUPACN-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccnc1N1CCN(C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C23H35N5O3/c29-22(25-17-19-8-5-15-31-19)20-9-4-10-24-21(20)27-11-13-28(14-12-27)23(30)26-16-18-6-2-1-3-7-18/h4,9-10,18-19H,1-3,5-8,11-17H2,(H,25,29)(H,26,30)/t19-/m0/s1
InChIKeyHLWXPTSRVVSZKX-IBGZPJMESA-N
MW429.57 g/mol
LogP2.40
Rot. Bonds6

About N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide

N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 92757124) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID92757124
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC NameN-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccnc1N1CCN(C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C23H35N5O3/c29-22(25-17-19-8-5-15-31-19)20-9-4-10-24-21(20)27-11-13-28(14-12-27)23(30)26-16-18-6-2-1-3-7-18/h4,9-10,18-19H,1-3,5-8,11-17H2,(H,25,29)(H,26,30)/t19-/m0/s1
InChIKeyHLWXPTSRVVSZKX-IBGZPJMESA-N
XLogP2.40
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-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

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92760589
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084292

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide (CID 92757124) is N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide is O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCN(C(=O)NCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is HLWXPTSRVVSZKX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H35N5O3/c29-22(25-17-19-8-5-15-31-19)20-9-4-10-24-21(20)27-11-13-28(14-12-27)23(30)26-16-18-6-2-1-3-7-18/h4,9-10,18-19H,1-3,5-8,11-17H2,(H,25,29)(H,26,30)/t19-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 92757124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).