(3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C25H33N3O — CID 92579687

About (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92579687) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92579687
• Molecular Formula: C25H33N3O
• Molecular Weight: 391.56 g/mol
• Exact Mass: 391.26
• IUPAC Name: (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(CC2CC2)C1
• InChI: InChI=1S/C25H33N3O/c1-19(2)27-24(29)25(12-3-15-28(18-25)17-21-4-5-21)16-20-6-8-22(9-7-20)23-10-13-26-14-11-23/h6-11,13-14,19,21H,3-5,12,15-18H2,1-2H3,(H,27,29)/t25-/m0/s1
• InChIKey: HHRFKOILSLMIFS-VWLOTQADSA-N
• XLogP: 4.31
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92579687) is (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(CC2CC2)C1.

What is the InChIKey of (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is HHRFKOILSLMIFS-VWLOTQADSA-N. The full InChI is InChI=1S/C25H33N3O/c1-19(2)27-24(29)25(12-3-15-28(18-25)17-21-4-5-21)16-20-6-8-22(9-7-20)23-10-13-26-14-11-23/h6-11,13-14,19,21H,3-5,12,15-18H2,1-2H3,(H,27,29)/t25-/m0/s1.

What are the key properties of (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

(3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92579687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).