(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide

C14H26N2O2 — CID 114119104

IUPAC(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide
SMILESCCOC1CC(NC(=O)[C@H]2CCCNC2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-4-18-12-8-11(14(12,2)3)16-13(17)10-6-5-7-15-9-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11?,12?/m0/s1
InChIKeySRMDQYLZVGXBHJ-UNXYVOJBSA-N
MW254.37 g/mol
LogP1.31
Rot. Bonds4

About (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide

(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide (PubChem CID 114119104) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide
PubChem CID114119104
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide
SMILESCCOC1CC(NC(=O)[C@H]2CCCNC2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-4-18-12-8-11(14(12,2)3)16-13(17)10-6-5-7-15-9-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11?,12?/m0/s1
InChIKeySRMDQYLZVGXBHJ-UNXYVOJBSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxy-2,2-diethylcyclobutyl)piperidine-3-carboxamide
CID 119344181
N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride
CID 119343920
(2R)-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyrrolidine-2-carboxamide
CID 113264272
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
N-(2,2-diethyl-3-methoxycyclobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119821955
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 82762406
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103826135
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
CID 66249534

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide (CID 114119104) is (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide is CCOC1CC(NC(=O)[C@H]2CCCNC2)C1(C)C.
What is the InChIKey of (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide?
The InChIKey is SRMDQYLZVGXBHJ-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-18-12-8-11(14(12,2)3)16-13(17)10-6-5-7-15-9-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11?,12?/m0/s1.
What are the key properties of (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide?
(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide is sourced from PubChem (CID 114119104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).