4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide

C21H33N3O2 — CID 51158606

IUPAC4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(C)CCCC(C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)8-7-9-17(3)22-20(25)18-12-14-24(15-13-18)21(26)23-19-10-5-4-6-11-19/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNGPFNEZGBHULGE-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.26
Rot. Bonds7

About 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 51158606) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID51158606
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(C)CCCC(C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-16(2)8-7-9-17(3)22-20(25)18-12-14-24(15-13-18)21(26)23-19-10-5-4-6-11-19/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNGPFNEZGBHULGE-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
4-N-[1-(furan-2-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 47008803
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
N-(6-methylheptan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 43000012
4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55478446
4-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26753074
4-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26753076
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 95116221
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide (CID 51158606) is 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide is CC(C)CCCC(C)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is NGPFNEZGBHULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)8-7-9-17(3)22-20(25)18-12-14-24(15-13-18)21(26)23-19-10-5-4-6-11-19/h4-6,10-11,16-18H,7-9,12-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 359.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 51158606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).