(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide

C16H30N2O2 — CID 120638797

IUPAC(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
SMILESCCOCCC1(CNC(=O)[C@H]2CCN[C@@H](C)C2)CCC1
InChIInChI=1S/C16H30N2O2/c1-3-20-10-8-16(6-4-7-16)12-18-15(19)14-5-9-17-13(2)11-14/h13-14,17H,3-12H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyBMMXSTCJJNKHEW-KBPBESRZSA-N
MW282.43 g/mol
LogP2.09
Rot. Bonds7

About (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120638797) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120638797
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
SMILESCCOCCC1(CNC(=O)[C@H]2CCN[C@@H](C)C2)CCC1
InChIInChI=1S/C16H30N2O2/c1-3-20-10-8-16(6-4-7-16)12-18-15(19)14-5-9-17-13(2)11-14/h13-14,17H,3-12H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyBMMXSTCJJNKHEW-KBPBESRZSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.09
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

(2S,4S)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120639460
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120635741
9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
4-methyl-1-[[(2-methylpiperidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106740478

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide (CID 120638797) is (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide is CCOCCC1(CNC(=O)[C@H]2CCN[C@@H](C)C2)CCC1.
What is the InChIKey of (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is BMMXSTCJJNKHEW-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-20-10-8-16(6-4-7-16)12-18-15(19)14-5-9-17-13(2)11-14/h13-14,17H,3-12H2,1-2H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120638797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).