(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide

C18H34N2O2 — CID 120638197

IUPAC(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide
SMILESCCCCOC1CC(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)C1(C)C
InChIInChI=1S/C18H34N2O2/c1-6-7-10-22-16-12-15(18(16,3)4)20(5)17(21)14-8-9-19-13(2)11-14/h13-16,19H,6-12H2,1-5H3/t13-,14-,15?,16?/m0/s1
InChIKeyLQTAOUQOEWKGPG-FXQLRMTLSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds6

About (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120638197) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120638197
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide
SMILESCCCCOC1CC(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)C1(C)C
InChIInChI=1S/C18H34N2O2/c1-6-7-10-22-16-12-15(18(16,3)4)20(5)17(21)14-8-9-19-13(2)11-14/h13-16,19H,6-12H2,1-5H3/t13-,14-,15?,16?/m0/s1
InChIKeyLQTAOUQOEWKGPG-FXQLRMTLSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119818533
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylacetamide;hydrochloride
CID 119818521
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119343546
N-butyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 106739366
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide
CID 120619148
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877465
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877466
N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877468
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide (CID 120638197) is (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide is CCCCOC1CC(N(C)C(=O)[C@H]2CCN[C@@H](C)C2)C1(C)C.
What is the InChIKey of (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is LQTAOUQOEWKGPG-FXQLRMTLSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-7-10-22-16-12-15(18(16,3)4)20(5)17(21)14-8-9-19-13(2)11-14/h13-16,19H,6-12H2,1-5H3/t13-,14-,15?,16?/m0/s1.
What are the key properties of (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120638197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).