N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide

C24H31N3O2 — CID 119749180

IUPACN-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C24H31N3O2/c1-18(21-8-5-14-25-17-21)16-23(28)27-22-11-9-20(10-12-22)24(29)26-15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,18,21,25H,5,8,13-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyDNEIPDIIGCSPEN-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.62
Rot. Bonds8

About N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide

N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 119749180) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID119749180
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C24H31N3O2/c1-18(21-8-5-14-25-17-21)16-23(28)27-22-11-9-20(10-12-22)24(29)26-15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,18,21,25H,5,8,13-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyDNEIPDIIGCSPEN-UHFFFAOYSA-N
XLogP3.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
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-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide (CID 119749180) is N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide is CC(CC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1)C1CCCNC1.
What is the InChIKey of N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is DNEIPDIIGCSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(21-8-5-14-25-17-21)16-23(28)27-22-11-9-20(10-12-22)24(29)26-15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,18,21,25H,5,8,13-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide?
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 119749180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).