1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide

C27H30N4O2 — CID 55585816

About 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide

1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 55585816) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
• PubChem CID: 55585816
• Molecular Formula: C27H30N4O2
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.24
• IUPAC Name: 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccc(N2CCCC2)nc1)C1CCCN(C(=O)c2cccc3ccccc23)C1
• InChI: InChI=1S/C27H30N4O2/c32-26(29-18-20-12-13-25(28-17-20)30-14-3-4-15-30)22-9-6-16-31(19-22)27(33)24-11-5-8-21-7-1-2-10-23(21)24/h1-2,5,7-8,10-13,17,22H,3-4,6,9,14-16,18-19H2,(H,29,32)
• InChIKey: RMPOWEJZDQSMGS-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 55585816) is 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)C1CCCN(C(=O)c2cccc3ccccc23)C1.

What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?

The InChIKey is RMPOWEJZDQSMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-26(29-18-20-12-13-25(28-17-20)30-14-3-4-15-30)22-9-6-16-31(19-22)27(33)24-11-5-8-21-7-1-2-10-23(21)24/h1-2,5,7-8,10-13,17,22H,3-4,6,9,14-16,18-19H2,(H,29,32).

What are the key properties of 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide?

1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55585816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).