N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide

C22H33N3O2 — CID 119749370

IUPACN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)C1CCCNC1
InChIInChI=1S/C22H33N3O2/c1-17(19-5-4-12-23-16-19)15-21(26)24-20-9-6-18(7-10-20)8-11-22(27)25-13-2-3-14-25/h6-7,9-10,17,19,23H,2-5,8,11-16H2,1H3,(H,24,26)
InChIKeyPUAQMHXQMOJACV-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.21
Rot. Bonds7

About N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119749370) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119749370
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)C1CCCNC1
InChIInChI=1S/C22H33N3O2/c1-17(19-5-4-12-23-16-19)15-21(26)24-20-9-6-18(7-10-20)8-11-22(27)25-13-2-3-14-25/h6-7,9-10,17,19,23H,2-5,8,11-16H2,1H3,(H,24,26)
InChIKeyPUAQMHXQMOJACV-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119749383
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide
CID 119833319
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119698584
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide (CID 119749370) is N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)C1CCCNC1.
What is the InChIKey of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is PUAQMHXQMOJACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17(19-5-4-12-23-16-19)15-21(26)24-20-9-6-18(7-10-20)8-11-22(27)25-13-2-3-14-25/h6-7,9-10,17,19,23H,2-5,8,11-16H2,1H3,(H,24,26).
What are the key properties of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide?
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 371.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119749370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).