3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide

C20H30N4O2 — CID 123380111

IUPAC3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(CCNC1CC1)Nc1cccc(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C20H30N4O2/c25-19(9-10-21-17-7-8-17)23-18-6-4-5-16(15-18)20(26)22-11-14-24-12-2-1-3-13-24/h4-6,15,17,21H,1-3,7-14H2,(H,22,26)(H,23,25)
InChIKeyFORMLCIBYUIKQM-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.98
Rot. Bonds9

About 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide

3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 123380111) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID123380111
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(CCNC1CC1)Nc1cccc(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C20H30N4O2/c25-19(9-10-21-17-7-8-17)23-18-6-4-5-16(15-18)20(26)22-11-14-24-12-2-1-3-13-24/h4-6,15,17,21H,1-3,7-14H2,(H,22,26)(H,23,25)
InChIKeyFORMLCIBYUIKQM-UHFFFAOYSA-N
XLogP1.98
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028
1-[3-oxo-3-[3-[2-(2-piperidin-1-ylethylamino)acetyl]anilino]propyl]piperidine-4-carboxamide
CID 123300993
5-ethyl-N-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329784
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide (CID 123380111) is 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide is O=C(CCNC1CC1)Nc1cccc(C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is FORMLCIBYUIKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(9-10-21-17-7-8-17)23-18-6-4-5-16(15-18)20(26)22-11-14-24-12-2-1-3-13-24/h4-6,15,17,21H,1-3,7-14H2,(H,22,26)(H,23,25).
What are the key properties of 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide?
3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 358.49 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 123380111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).