4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide

C16H25N3O — CID 3451208

IUPAC4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)N(C)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)18(3)15-9-11-19(12-10-15)16(20)17-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,17,20)
InChIKeyHXCIVFFHJXSMNX-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.02
Rot. Bonds3

About 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide

4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 3451208) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID3451208
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)N(C)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)18(3)15-9-11-19(12-10-15)16(20)17-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,17,20)
InChIKeyHXCIVFFHJXSMNX-UHFFFAOYSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
4-[methyl(propan-2-yl)amino]-N-(4-phenoxyphenyl)piperidine-1-carbothioamide
CID 46371875
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide (CID 3451208) is 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide is CC(C)N(C)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is HXCIVFFHJXSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)18(3)15-9-11-19(12-10-15)16(20)17-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,17,20).
What are the key properties of 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide?
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).