3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide

C17H26N2O — CID 82260307

IUPAC3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)10-17(20)19-16-7-5-14(6-8-16)11-15-4-3-9-18-12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyMZVPRGIKCGBZMI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.21
Rot. Bonds5

About 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide

3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide (PubChem CID 82260307) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
PubChem CID82260307
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)10-17(20)19-16-7-5-14(6-8-16)11-15-4-3-9-18-12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyMZVPRGIKCGBZMI-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[4-(piperidin-3-ylmethyl)phenyl]acetamide
CID 82260310
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
CID 62674886
3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115340003
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-(4-methylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815598
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N,N-dimethyl-4-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62676306
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide (CID 82260307) is 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide?
The InChIKey is MZVPRGIKCGBZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)10-17(20)19-16-7-5-14(6-8-16)11-15-4-3-9-18-12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide?
3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide has a molecular weight of 274.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 82260307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).