1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide

C29H38N2O2 — CID 18727466

IUPAC1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide
SMILESC=CCC(=O)N1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1
InChIInChI=1S/C29H38N2O2/c1-2-11-28(32)31-22-20-26(21-23-31)29(33)30-27(18-9-16-24-12-5-3-6-13-24)19-10-17-25-14-7-4-8-15-25/h2-8,12-15,26-27H,1,9-11,16-23H2,(H,30,33)
InChIKeyHIQGLHRNGPRLQV-UHFFFAOYSA-N
MW446.64 g/mol
LogP5.33
Rot. Bonds12

About 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide

1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide (PubChem CID 18727466) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide
PubChem CID18727466
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide
SMILESC=CCC(=O)N1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1
InChIInChI=1S/C29H38N2O2/c1-2-11-28(32)31-22-20-26(21-23-31)29(33)30-27(18-9-16-24-12-5-3-6-13-24)19-10-17-25-14-7-4-8-15-25/h2-8,12-15,26-27H,1,9-11,16-23H2,(H,30,33)
InChIKeyHIQGLHRNGPRLQV-UHFFFAOYSA-N
XLogP5.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
CID 142137849
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
tert-butyl 4-(1,7-diphenylheptan-4-ylcarbamoyl)piperidine-1-carboxylate;1,7-diphenylheptan-4-amine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 161413603
1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45242607
3-(4-aminopiperazin-1-yl)-N-(1,7-diphenylheptan-4-yl)-3-oxopropanamide
CID 142137848
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 75448366
tert-butyl 4-[[1-(1,7-diphenylheptan-4-ylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 18727502
tert-butyl N-[[4-(1,7-diphenylheptan-4-ylcarbamoyl)cyclohexyl]methyl]carbamate
CID 59898570
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
CID 18727492

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide (CID 18727466) is 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide is C=CCC(=O)N1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1.
What is the InChIKey of 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide?
The InChIKey is HIQGLHRNGPRLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-2-11-28(32)31-22-20-26(21-23-31)29(33)30-27(18-9-16-24-12-5-3-6-13-24)19-10-17-25-14-7-4-8-15-25/h2-8,12-15,26-27H,1,9-11,16-23H2,(H,30,33).
What are the key properties of 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide?
1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 5.33, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoyl-N-(1,7-diphenylheptan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 18727466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).