3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide

C20H31N3O2 — CID 24659153

IUPAC3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-15(2)11-12-16(3)21-19(24)17-8-7-13-23(14-17)20(25)22-18-9-5-4-6-10-18/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyXDEPAKFCFADVKU-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.87
Rot. Bonds6

About 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 24659153) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID24659153
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-15(2)11-12-16(3)21-19(24)17-8-7-13-23(14-17)20(25)22-18-9-5-4-6-10-18/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyXDEPAKFCFADVKU-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
methyl (2S)-3-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 38031986
methyl (2R)-3-phenyl-2-[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 39995976
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 24659153) is 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide is CC(C)CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is XDEPAKFCFADVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)11-12-16(3)21-19(24)17-8-7-13-23(14-17)20(25)22-18-9-5-4-6-10-18/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 24659153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).