1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide

C18H27N3O — CID 167845265

IUPAC1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H27N3O/c1-20-12-9-15(10-13-20)18(22)19-16-6-5-11-21(14-16)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,19,22)
InChIKeyMBBIJYBOKAESBF-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide

1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide (PubChem CID 167845265) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
PubChem CID167845265
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C18H27N3O/c1-20-12-9-15(10-13-20)18(22)19-16-6-5-11-21(14-16)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,19,22)
InChIKeyMBBIJYBOKAESBF-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
CID 58656288
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 120941945
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide (CID 167845265) is 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide is CN1CCC(C(=O)NC2CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide?
The InChIKey is MBBIJYBOKAESBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-12-9-15(10-13-20)18(22)19-16-6-5-11-21(14-16)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide?
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167845265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).