4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide

C25H33N5O3 — CID 92761567

IUPAC4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C25H33N5O3/c1-18(2)20-8-3-4-10-22(20)28-25(32)30-14-12-29(13-15-30)23-21(9-5-11-26-23)24(31)27-17-19-7-6-16-33-19/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,27,31)(H,28,32)/t19-/m1/s1
InChIKeyDMQLLSPBKIQHBV-LJQANCHMSA-N
MW451.57 g/mol
LogP3.47
Rot. Bonds6

About 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide

4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 92761567) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID92761567
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C25H33N5O3/c1-18(2)20-8-3-4-10-22(20)28-25(32)30-14-12-29(13-15-30)23-21(9-5-11-26-23)24(31)27-17-19-7-6-16-33-19/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,27,31)(H,28,32)/t19-/m1/s1
InChIKeyDMQLLSPBKIQHBV-LJQANCHMSA-N
XLogP3.47
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)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

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
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
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-[(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
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
2-morpholin-4-yl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 84576378

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 92761567) is 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is DMQLLSPBKIQHBV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-18(2)20-8-3-4-10-22(20)28-25(32)30-14-12-29(13-15-30)23-21(9-5-11-26-23)24(31)27-17-19-7-6-16-33-19/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H,27,31)(H,28,32)/t19-/m1/s1.
What are the key properties of 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 92761567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).