1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

C24H37N5O3 — CID 123452314

IUPAC1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C24H37N5O3/c1-27(16-17-28-11-3-2-4-12-28)24(32)20-6-5-7-21(18-20)26-22(30)10-15-29-13-8-19(9-14-29)23(25)31/h5-7,18-19H,2-4,8-17H2,1H3,(H2,25,31)(H,26,30)
InChIKeyQQPUMVPJVYPNED-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.77
Rot. Bonds9

About 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 123452314) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide
PubChem CID123452314
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C24H37N5O3/c1-27(16-17-28-11-3-2-4-12-28)24(32)20-6-5-7-21(18-20)26-22(30)10-15-29-13-8-19(9-14-29)23(25)31/h5-7,18-19H,2-4,8-17H2,1H3,(H2,25,31)(H,26,30)
InChIKeyQQPUMVPJVYPNED-UHFFFAOYSA-N
XLogP1.77
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide
CID 123300993
3-[3-[2-(4-hydroxyphenyl)ethylamino]propanoylamino]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123897221
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 119883310
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
[1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853710
3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 123380111
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide (CID 123452314) is 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide is CN(CCN1CCCCC1)C(=O)c1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is QQPUMVPJVYPNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-27(16-17-28-11-3-2-4-12-28)24(32)20-6-5-7-21(18-20)26-22(30)10-15-29-13-8-19(9-14-29)23(25)31/h5-7,18-19H,2-4,8-17H2,1H3,(H2,25,31)(H,26,30).
What are the key properties of 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide?
1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 123452314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).