N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide

C21H33N3O — CID 119851531

IUPACN-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(CN1CCCC1)c1ccccc1)C1CCCNC1
InChIInChI=1S/C21H33N3O/c1-17(19-10-7-11-22-15-19)14-21(25)23-20(16-24-12-5-6-13-24)18-8-3-2-4-9-18/h2-4,8-9,17,19-20,22H,5-7,10-16H2,1H3,(H,23,25)
InChIKeyIECYJINARDNJEM-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.97
Rot. Bonds7

About N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide

N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide (PubChem CID 119851531) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
PubChem CID119851531
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(CN1CCCC1)c1ccccc1)C1CCCNC1
InChIInChI=1S/C21H33N3O/c1-17(19-10-7-11-22-15-19)14-21(25)23-20(16-24-12-5-6-13-24)18-8-3-2-4-9-18/h2-4,8-9,17,19-20,22H,5-7,10-16H2,1H3,(H,23,25)
InChIKeyIECYJINARDNJEM-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119836776
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119719350
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
N-(1-morpholin-4-ylpropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81048258
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide (CID 119851531) is N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC(CN1CCCC1)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is IECYJINARDNJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17(19-10-7-11-22-15-19)14-21(25)23-20(16-24-12-5-6-13-24)18-8-3-2-4-9-18/h2-4,8-9,17,19-20,22H,5-7,10-16H2,1H3,(H,23,25).
What are the key properties of N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide?
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 343.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119851531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).