2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide

C16H25N3O — CID 120703837

IUPAC2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13-7-9-19(10-8-13)12-14-3-5-15(6-4-14)18-16(20)11-17-2/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyWCPZBJFINRRFMQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.08
Rot. Bonds5

About 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide

2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 120703837) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID120703837
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13-7-9-19(10-8-13)12-14-3-5-15(6-4-14)18-16(20)11-17-2/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyWCPZBJFINRRFMQ-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 87019085
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 47038041
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide (CID 120703837) is 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide is CNCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is WCPZBJFINRRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-7-9-19(10-8-13)12-14-3-5-15(6-4-14)18-16(20)11-17-2/h3-6,13,17H,7-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide?
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 120703837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).