N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide

C22H35N3O — CID 119879223

IUPACN-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCN(C(C)c2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C22H35N3O/c1-17(19-8-12-23-13-9-19)16-22(26)24-21-10-14-25(15-11-21)18(2)20-6-4-3-5-7-20/h3-7,17-19,21,23H,8-16H2,1-2H3,(H,24,26)
InChIKeyHKAAOGSQNLHJSW-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.35
Rot. Bonds6

About N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide

N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119879223) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
PubChem CID119879223
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCN(C(C)c2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C22H35N3O/c1-17(19-8-12-23-13-9-19)16-22(26)24-21-10-14-25(15-11-21)18(2)20-6-4-3-5-7-20/h3-7,17-19,21,23H,8-16H2,1-2H3,(H,24,26)
InChIKeyHKAAOGSQNLHJSW-UHFFFAOYSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119710904
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide (CID 119879223) is N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NC1CCN(C(C)c2ccccc2)CC1)C1CCNCC1.
What is the InChIKey of N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is HKAAOGSQNLHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17(19-8-12-23-13-9-19)16-22(26)24-21-10-14-25(15-11-21)18(2)20-6-4-3-5-7-20/h3-7,17-19,21,23H,8-16H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide?
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 357.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).