2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C23H28N4O3 — CID 92760589

IUPAC2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C23H28N4O3/c1-17-6-2-3-8-19(17)23(29)27-13-11-26(12-14-27)21-20(9-4-10-24-21)22(28)25-16-18-7-5-15-30-18/h2-4,6,8-10,18H,5,7,11-16H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyZBJMPTYFJZCUMC-GOSISDBHSA-N
MW408.50 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 92760589) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID92760589
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C23H28N4O3/c1-17-6-2-3-8-19(17)23(29)27-13-11-26(12-14-27)21-20(9-4-10-24-21)22(28)25-16-18-7-5-15-30-18/h2-4,6,8-10,18H,5,7,11-16H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyZBJMPTYFJZCUMC-GOSISDBHSA-N
XLogP2.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
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
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
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
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 54302049
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 92760589) is 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is Cc1ccccc1C(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ZBJMPTYFJZCUMC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-6-2-3-8-19(17)23(29)27-13-11-26(12-14-27)21-20(9-4-10-24-21)22(28)25-16-18-7-5-15-30-18/h2-4,6,8-10,18H,5,7,11-16H2,1H3,(H,25,28)/t18-/m1/s1.
What are the key properties of 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 92760589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).