N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide

C12H24N2O3 — CID 106161126

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C12H24N2O3/c1-12(6-3-4-7-13-12)11(16)14-10(5-8-15)9-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyXJMZIYJJVQXYKQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.03
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide (PubChem CID 106161126) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
PubChem CID106161126
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C12H24N2O3/c1-12(6-3-4-7-13-12)11(16)14-10(5-8-15)9-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyXJMZIYJJVQXYKQ-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 106161157
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
(2R)-2-methyl-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]piperidine-2-carboxamide
CID 99853203
1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
CID 103799399
(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide (CID 106161126) is N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide is COCC(CCO)NC(=O)C1(C)CCCCN1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide?
The InChIKey is XJMZIYJJVQXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(6-3-4-7-13-12)11(16)14-10(5-8-15)9-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106161126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).