(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide

C13H24N2O2 — CID 95675542

IUPAC(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(C)=O)C1
InChIInChI=1S/C13H24N2O2/c1-4-5-8-14-13(17)12-7-6-10(2)15(9-12)11(3)16/h10,12H,4-9H2,1-3H3,(H,14,17)/t10-,12-/m1/s1
InChIKeyHOLNRCTZRZNIKV-ZYHUDNBSSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds4

About (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide

(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide (PubChem CID 95675542) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
PubChem CID95675542
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(C)=O)C1
InChIInChI=1S/C13H24N2O2/c1-4-5-8-14-13(17)12-7-6-10(2)15(9-12)11(3)16/h10,12H,4-9H2,1-3H3,(H,14,17)/t10-,12-/m1/s1
InChIKeyHOLNRCTZRZNIKV-ZYHUDNBSSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119744484
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 56567002
N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 60568206
N-butyl-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119744465
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
(3R,6S)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butyl-6-methylpiperidine-1,3-dicarboxamide
CID 52510139
(3S,6R)-N-butyl-6-methyl-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-3-carboxamide
CID 99811792

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide (CID 95675542) is (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide is CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(C)=O)C1.
What is the InChIKey of (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide?
The InChIKey is HOLNRCTZRZNIKV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-8-14-13(17)12-7-6-10(2)15(9-12)11(3)16/h10,12H,4-9H2,1-3H3,(H,14,17)/t10-,12-/m1/s1.
What are the key properties of (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95675542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).