(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride

C16H32ClN3O2 — CID 120632113

IUPAC(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(CNC(=O)[C@H]1CCN[C@@H](C)C1)N1CCOCC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-12(2)15(19-6-8-21-9-7-19)11-18-16(20)14-4-5-17-13(3)10-14;/h12-15,17H,4-11H2,1-3H3,(H,18,20);1H/t13-,14-,15?;/m0./s1
InChIKeyIVRNIVOPSBDENM-FIFXYPAJSA-N
MW333.90 g/mol
LogP1.27
Rot. Bonds5

About (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120632113) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120632113
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(CNC(=O)[C@H]1CCN[C@@H](C)C1)N1CCOCC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-12(2)15(19-6-8-21-9-7-19)11-18-16(20)14-4-5-17-13(3)10-14;/h12-15,17H,4-11H2,1-3H3,(H,18,20);1H/t13-,14-,15?;/m0./s1
InChIKeyIVRNIVOPSBDENM-FIFXYPAJSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
CID 119841324
(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120631423
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 52608858
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
CID 119849807
3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119841278
(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637145
4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
CID 114428726
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride (CID 120632113) is (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride is CC(C)C(CNC(=O)[C@H]1CCN[C@@H](C)C1)N1CCOCC1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IVRNIVOPSBDENM-FIFXYPAJSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-12(2)15(19-6-8-21-9-7-19)11-18-16(20)14-4-5-17-13(3)10-14;/h12-15,17H,4-11H2,1-3H3,(H,18,20);1H/t13-,14-,15?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).