N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide

C12H22N2O3 — CID 106101397

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NCC2(O)CCOC2)CCCCN1
InChIInChI=1S/C12H22N2O3/c1-11(4-2-3-6-14-11)10(15)13-8-12(16)5-7-17-9-12/h14,16H,2-9H2,1H3,(H,13,15)
InChIKeyRSZAVXLWTMNYNF-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.21
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide (PubChem CID 106101397) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
PubChem CID106101397
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NCC2(O)CCOC2)CCCCN1
InChIInChI=1S/C12H22N2O3/c1-11(4-2-3-6-14-11)10(15)13-8-12(16)5-7-17-9-12/h14,16H,2-9H2,1H3,(H,13,15)
InChIKeyRSZAVXLWTMNYNF-UHFFFAOYSA-N
XLogP-0.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596904
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
2-methyl-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 113368609
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide (CID 106101397) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide is CC1(C(=O)NCC2(O)CCOC2)CCCCN1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is RSZAVXLWTMNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(4-2-3-6-14-11)10(15)13-8-12(16)5-7-17-9-12/h14,16H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 106101397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).