1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide

C19H29N3O2 — CID 46428935

IUPAC1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)15-5-7-17(8-6-15)21-18(23)16-9-11-22(12-10-16)19(24)20-14(3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyPIXLPOUTGJWWLA-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.58
Rot. Bonds4

About 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide

1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 46428935) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
PubChem CID46428935
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)15-5-7-17(8-6-15)21-18(23)16-9-11-22(12-10-16)19(24)20-14(3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyPIXLPOUTGJWWLA-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 51000910
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113006099
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide (CID 46428935) is 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide is CC(C)NC(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is PIXLPOUTGJWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)15-5-7-17(8-6-15)21-18(23)16-9-11-22(12-10-16)19(24)20-14(3)4/h5-8,13-14,16H,9-12H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide?
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46428935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).