2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

C16H24N2O — CID 935195

IUPAC2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)16(19)17-15-8-6-14(7-9-15)12-18-10-4-3-5-11-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyNKUJIDQPKBADLB-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 935195) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID935195
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)16(19)17-15-8-6-14(7-9-15)12-18-10-4-3-5-11-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyNKUJIDQPKBADLB-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
CID 27110198
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (CID 935195) is 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is NKUJIDQPKBADLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)16(19)17-15-8-6-14(7-9-15)12-18-10-4-3-5-11-18/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 935195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).