(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride

C15H28ClN3O3 — CID 120637145

IUPAC(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-3-13(15(20)18-6-8-21-9-7-18)17-14(19)12-4-5-16-11(2)10-12;/h11-13,16H,3-10H2,1-2H3,(H,17,19);1H/t11-,12-,13?;/m0./s1
InChIKeyGFMDSZPDXPEJKA-TVPPKBNJSA-N
MW333.86 g/mol
LogP0.55
Rot. Bonds4

About (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120637145) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID120637145
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-3-13(15(20)18-6-8-21-9-7-18)17-14(19)12-4-5-16-11(2)10-12;/h11-13,16H,3-10H2,1-2H3,(H,17,19);1H/t11-,12-,13?;/m0./s1
InChIKeyGFMDSZPDXPEJKA-TVPPKBNJSA-N
XLogP0.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-morpholin-4-yl-1-oxobutan-2-yl)morpholine-2-carboxamide
CID 119810252
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795511
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119940120
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120629717
4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide
CID 97007236
(2S,4S)-2-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120634574
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride (CID 120637145) is (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride is CCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)N1CCOCC1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is GFMDSZPDXPEJKA-TVPPKBNJSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-3-13(15(20)18-6-8-21-9-7-18)17-14(19)12-4-5-16-11(2)10-12;/h11-13,16H,3-10H2,1-2H3,(H,17,19);1H/t11-,12-,13?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.55, 4 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-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).