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

C12H25N3O — CID 120704077

IUPAC2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCNCC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O/c1-10-4-6-15(7-5-10)11(2)8-14-12(16)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyFVIRKSPXHGTWHP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds5

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

2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 120704077) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID120704077
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCNCC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C12H25N3O/c1-10-4-6-15(7-5-10)11(2)8-14-12(16)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyFVIRKSPXHGTWHP-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide;dihydrochloride
CID 119866597
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
tert-butyl 4-[2-(4-methylpiperidin-1-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 110620686
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
CID 92602996

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide (CID 120704077) is 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide is CNCC(=O)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is FVIRKSPXHGTWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-4-6-15(7-5-10)11(2)8-14-12(16)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 120704077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).