N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide

C11H22N2O2 — CID 95051739

IUPACN-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCC(OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-9(2)12-11(14)13-7-5-10(15-3)6-8-13/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyRKSLSKCTYFOCFX-SECBINFHSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds3

About N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide

N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide (PubChem CID 95051739) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
PubChem CID95051739
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCC(OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-9(2)12-11(14)13-7-5-10(15-3)6-8-13/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1
InChIKeyRKSLSKCTYFOCFX-SECBINFHSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 47328029
N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95975963
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide (CID 95051739) is N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide is CC[C@@H](C)NC(=O)N1CCC(OC)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is RKSLSKCTYFOCFX-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9(2)12-11(14)13-7-5-10(15-3)6-8-13/h9-10H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide?
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 95051739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).