(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide

C11H22N2O2 — CID 81139140

IUPAC(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
SMILESCOCCCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-15-8-3-2-7-13-11(14)10-5-4-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyZCVGIGMSKVVFRZ-JTQLQIEISA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds6

About (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide

(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide (PubChem CID 81139140) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
PubChem CID81139140
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
SMILESCOCCCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-15-8-3-2-7-13-11(14)10-5-4-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyZCVGIGMSKVVFRZ-JTQLQIEISA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
CID 114130968
(3R)-N-(3-ethenoxypropyl)piperidine-3-carboxamide
CID 81140451
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide (CID 81139140) is (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide is COCCCCNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide?
The InChIKey is ZCVGIGMSKVVFRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-8-3-2-7-13-11(14)10-5-4-6-12-9-10/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide?
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methoxybutyl)piperidine-3-carboxamide is sourced from PubChem (CID 81139140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).