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

C22H35N3O — CID 119864188

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCCNC1
InChIInChI=1S/C22H35N3O/c1-18(21-8-5-11-23-16-21)14-22(26)24-15-19-9-12-25(13-10-19)17-20-6-3-2-4-7-20/h2-4,6-7,18-19,21,23H,5,8-17H2,1H3,(H,24,26)
InChIKeyBPXXYNSTCFACBQ-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.04
Rot. Bonds7

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

N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119864188) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID119864188
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCCNC1
InChIInChI=1S/C22H35N3O/c1-18(21-8-5-11-23-16-21)14-22(26)24-15-19-9-12-25(13-10-19)17-20-6-3-2-4-7-20/h2-4,6-7,18-19,21,23H,5,8-17H2,1H3,(H,24,26)
InChIKeyBPXXYNSTCFACBQ-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898742
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide (CID 119864188) is N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCCNC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is BPXXYNSTCFACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18(21-8-5-11-23-16-21)14-22(26)24-15-19-9-12-25(13-10-19)17-20-6-3-2-4-7-20/h2-4,6-7,18-19,21,23H,5,8-17H2,1H3,(H,24,26).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide?
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 357.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119864188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).