4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

C22H34N4O2 — CID 119885625

IUPAC4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCCNC1
InChIInChI=1S/C22H34N4O2/c1-17(19-5-4-10-23-16-19)15-21(27)25-20-8-6-18(7-9-20)22(28)24-11-14-26-12-2-3-13-26/h6-9,17,19,23H,2-5,10-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyVUHYKQNSWKYFQX-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.48
Rot. Bonds8

About 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 119885625) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID119885625
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCCNC1
InChIInChI=1S/C22H34N4O2/c1-17(19-5-4-10-23-16-19)15-21(27)25-20-8-6-18(7-9-20)22(28)24-11-14-26-12-2-3-13-26/h6-9,17,19,23H,2-5,10-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyVUHYKQNSWKYFQX-UHFFFAOYSA-N
XLogP2.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739180
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 119885625) is 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is CC(CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCCNC1.
What is the InChIKey of 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VUHYKQNSWKYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17(19-5-4-10-23-16-19)15-21(27)25-20-8-6-18(7-9-20)22(28)24-11-14-26-12-2-3-13-26/h6-9,17,19,23H,2-5,10-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 386.54 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 119885625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).