N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide

C22H35N3O — CID 119877367

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCN(Cc2ccccc2)C(C)C1)C1CCCNC1
InChIInChI=1S/C22H35N3O/c1-17(20-9-6-11-23-15-20)13-22(26)24-21-10-12-25(18(2)14-21)16-19-7-4-3-5-8-19/h3-5,7-8,17-18,20-21,23H,6,9-16H2,1-2H3,(H,24,26)
InChIKeyWOCNUTYVFFAQDK-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.18
Rot. Bonds6

About N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide

N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119877367) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
PubChem CID119877367
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC1CCN(Cc2ccccc2)C(C)C1)C1CCCNC1
InChIInChI=1S/C22H35N3O/c1-17(20-9-6-11-23-15-20)13-22(26)24-21-10-12-25(18(2)14-21)16-19-7-4-3-5-8-19/h3-5,7-8,17-18,20-21,23H,6,9-16H2,1-2H3,(H,24,26)
InChIKeyWOCNUTYVFFAQDK-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119895524
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700552
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 119704837
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide (CID 119877367) is N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC1CCN(Cc2ccccc2)C(C)C1)C1CCCNC1.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is WOCNUTYVFFAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-17(20-9-6-11-23-15-20)13-22(26)24-21-10-12-25(18(2)14-21)16-19-7-4-3-5-8-19/h3-5,7-8,17-18,20-21,23H,6,9-16H2,1-2H3,(H,24,26).
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide?
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 357.54 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119877367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).