(3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C27H35N5O — CID 92604550

About (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92604550) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92604550
• Molecular Formula: C27H35N5O
• Molecular Weight: 445.61 g/mol
• Exact Mass: 445.28
• IUPAC Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CCn1ccnc1CN1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1
• InChI: InChI=1S/C27H35N5O/c1-4-32-16-14-29-25(32)19-31-15-8-12-27(20-31,26(33)30-21(2)3)17-22-9-5-6-11-24(22)23-10-7-13-28-18-23/h5-7,9-11,13-14,16,18,21H,4,8,12,15,17,19-20H2,1-3H3,(H,30,33)/t27-/m1/s1
• InChIKey: IXFCMCXOVZQYIQ-HHHXNRCGSA-N
• XLogP: 4.31
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.61
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92604550) is (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CCn1ccnc1CN1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1.

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

The InChIKey is IXFCMCXOVZQYIQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H35N5O/c1-4-32-16-14-29-25(32)19-31-15-8-12-27(20-31,26(33)30-21(2)3)17-22-9-5-6-11-24(22)23-10-7-13-28-18-23/h5-7,9-11,13-14,16,18,21H,4,8,12,15,17,19-20H2,1-3H3,(H,30,33)/t27-/m1/s1.

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

(3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92604550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).