(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide

C19H30N2O2 — CID 120626020

IUPAC(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C19H30N2O2/c1-16-14-18(10-11-20-16)19(22)21(12-6-7-13-23-2)15-17-8-4-3-5-9-17/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3/t16-,18-/m0/s1
InChIKeyHMAGPMSJUKCYOP-WMZOPIPTSA-N
MW318.46 g/mol
LogP2.83
Rot. Bonds8

About (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120626020) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
PubChem CID120626020
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C19H30N2O2/c1-16-14-18(10-11-20-16)19(22)21(12-6-7-13-23-2)15-17-8-4-3-5-9-17/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3/t16-,18-/m0/s1
InChIKeyHMAGPMSJUKCYOP-WMZOPIPTSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.83
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

3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616330
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide (CID 120626020) is (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide is COCCCCN(Cc1ccccc1)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is HMAGPMSJUKCYOP-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-14-18(10-11-20-16)19(22)21(12-6-7-13-23-2)15-17-8-4-3-5-9-17/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120626020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).