4-(3-pyrrolidin-1-ylpropanoylamino)benzamide

C14H19N3O2 — CID 110688218

IUPAC4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCCC2)cc1
InChIInChI=1S/C14H19N3O2/c15-14(19)11-3-5-12(6-4-11)16-13(18)7-10-17-8-1-2-9-17/h3-6H,1-2,7-10H2,(H2,15,19)(H,16,18)
InChIKeyNQAYQSKMISBWSZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds5

About 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide

4-(3-pyrrolidin-1-ylpropanoylamino)benzamide (PubChem CID 110688218) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound Name4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
PubChem CID110688218
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)CCN2CCCC2)cc1
InChIInChI=1S/C14H19N3O2/c15-14(19)11-3-5-12(6-4-11)16-13(18)7-10-17-8-1-2-9-17/h3-6H,1-2,7-10H2,(H2,15,19)(H,16,18)
InChIKeyNQAYQSKMISBWSZ-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
4-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]benzamide
CID 30740336
N-butyl-1-[3-(4-carbamoylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 37210805
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
4-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanoylamino]benzamide
CID 55841465
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
The IUPAC name of 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide (CID 110688218) is 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide.
What is the SMILES notation for 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
The canonical SMILES for 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide is NC(=O)c1ccc(NC(=O)CCN2CCCC2)cc1.
What is the InChIKey of 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
The InChIKey is NQAYQSKMISBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(19)11-3-5-12(6-4-11)16-13(18)7-10-17-8-1-2-9-17/h3-6H,1-2,7-10H2,(H2,15,19)(H,16,18).
What are the key properties of 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrrolidin-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 110688218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).