2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide

C13H27N3O — CID 167035166

IUPAC2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESCN[C@H](CC1CCN(C)CC1)NC(=O)C(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)13(17)15-12(14-3)9-11-5-7-16(4)8-6-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyKXBWGISFOLPAGH-LBPRGKRZSA-N
MW241.38 g/mol
LogP1.04
Rot. Bonds5

About 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide

2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide (PubChem CID 167035166) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide
PubChem CID167035166
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESCN[C@H](CC1CCN(C)CC1)NC(=O)C(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)13(17)15-12(14-3)9-11-5-7-16(4)8-6-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyKXBWGISFOLPAGH-LBPRGKRZSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
1,4-dimethylpiperidine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271115
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]propanamide
CID 43308231
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide (CID 167035166) is 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide is CN[C@H](CC1CCN(C)CC1)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is KXBWGISFOLPAGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)13(17)15-12(14-3)9-11-5-7-16(4)8-6-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide?
2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(methylamino)-2-(1-methylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 167035166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).