4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide

C19H27N3O2 — CID 4783299

IUPAC4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-15-6-5-11-22(14-15)18(23)16-9-12-21(13-10-16)19(24)20-17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,20,24)
InChIKeyUDELEQNCYMPSJW-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.19
Rot. Bonds2

About 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide

4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide (PubChem CID 4783299) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
PubChem CID4783299
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-15-6-5-11-22(14-15)18(23)16-9-12-21(13-10-16)19(24)20-17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,20,24)
InChIKeyUDELEQNCYMPSJW-UHFFFAOYSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide (CID 4783299) is 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide is CC1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is UDELEQNCYMPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-6-5-11-22(14-15)18(23)16-9-12-21(13-10-16)19(24)20-17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,20,24).
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 4783299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).