1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide

C24H37N5O3 — CID 123300993

IUPAC1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2cccc(C(=O)CNCCN3CCCCC3)c2)CC1
InChIInChI=1S/C24H37N5O3/c25-24(32)19-7-13-29(14-8-19)15-9-23(31)27-21-6-4-5-20(17-21)22(30)18-26-10-16-28-11-2-1-3-12-28/h4-6,17,19,26H,1-3,7-16,18H2,(H2,25,32)(H,27,31)
InChIKeyHRHLTSZIEZBSOH-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.47
Rot. Bonds11

About 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide

1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide (PubChem CID 123300993) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide
PubChem CID123300993
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2cccc(C(=O)CNCCN3CCCCC3)c2)CC1
InChIInChI=1S/C24H37N5O3/c25-24(32)19-7-13-29(14-8-19)15-9-23(31)27-21-6-4-5-20(17-21)22(30)18-26-10-16-28-11-2-1-3-12-28/h4-6,17,19,26H,1-3,7-16,18H2,(H2,25,32)(H,27,31)
InChIKeyHRHLTSZIEZBSOH-UHFFFAOYSA-N
XLogP1.47
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-[methyl(2-piperidin-1-ylethyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide
CID 123452314
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 123380111
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide (CID 123300993) is 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCC(=O)Nc2cccc(C(=O)CNCCN3CCCCC3)c2)CC1.
What is the InChIKey of 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide?
The InChIKey is HRHLTSZIEZBSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c25-24(32)19-7-13-29(14-8-19)15-9-23(31)27-21-6-4-5-20(17-21)22(30)18-26-10-16-28-11-2-1-3-12-28/h4-6,17,19,26H,1-3,7-16,18H2,(H2,25,32)(H,27,31).
What are the key properties of 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide?
1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 1.47, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 123300993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).