(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119818675

IUPAC(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(11(16)13-2)8-15(3)12(17)10-6-4-5-7-14-10;/h9-10,14H,4-8H2,1-3H3,(H,13,16);1H/t9?,10-;/m0./s1
InChIKeyIOHCLNGQQLLVMS-FTCYEJDNSA-N
MW277.80 g/mol
LogP0.39
Rot. Bonds4

About (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119818675) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119818675
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(11(16)13-2)8-15(3)12(17)10-6-4-5-7-14-10;/h9-10,14H,4-8H2,1-3H3,(H,13,16);1H/t9?,10-;/m0./s1
InChIKeyIOHCLNGQQLLVMS-FTCYEJDNSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
CID 103809890
N-(2-cyanopropyl)-N-methylazepane-2-carboxamide
CID 64563051
(2R)-N-methyl-N-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119772557
N,2-dimethyl-3-[methyl(1-piperidin-2-ylpropan-2-yl)amino]propanamide
CID 106918384
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
N-(2,2-dimethylpropyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119299416
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 91646308
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
4-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113264331
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride (CID 119818675) is (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride is CNC(=O)C(C)CN(C)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is IOHCLNGQQLLVMS-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-9(11(16)13-2)8-15(3)12(17)10-6-4-5-7-14-10;/h9-10,14H,4-8H2,1-3H3,(H,13,16);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119818675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).