4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide

C21H34N4O — CID 56717075

IUPAC4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)CN1CCC(NC2CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C21H34N4O/c1-17(2)16-24-12-8-19(9-13-24)22-20-10-14-25(15-11-20)21(26)23-18-6-4-3-5-7-18/h3-7,17,19-20,22H,8-16H2,1-2H3,(H,23,26)
InChIKeyYAQJGEIZGYGSQH-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.39
Rot. Bonds5

About 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide

4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 56717075) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID56717075
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)CN1CCC(NC2CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C21H34N4O/c1-17(2)16-24-12-8-19(9-13-24)22-20-10-14-25(15-11-20)21(26)23-18-6-4-3-5-7-18/h3-7,17,19-20,22H,8-16H2,1-2H3,(H,23,26)
InChIKeyYAQJGEIZGYGSQH-UHFFFAOYSA-N
XLogP3.39
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
3-(2-methylpropyl)-4-oxo-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide
CID 55501814
6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313672
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154884603
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide (CID 56717075) is 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide is CC(C)CN1CCC(NC2CCN(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is YAQJGEIZGYGSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17(2)16-24-12-8-19(9-13-24)22-20-10-14-25(15-11-20)21(26)23-18-6-4-3-5-7-18/h3-7,17,19-20,22H,8-16H2,1-2H3,(H,23,26).
What are the key properties of 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 56717075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).