N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide

C16H24N2O2 — CID 104597078

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C16H24N2O2/c1-12(13-8-4-5-9-14(13)20-3)18-15(19)16(2)10-6-7-11-17-16/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,18,19)/t12-,16?/m0/s1
InChIKeyRELPPHDIXNJRCA-HKALDPMFSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104597078) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
PubChem CID104597078
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)C1(C)CCCCN1
InChIInChI=1S/C16H24N2O2/c1-12(13-8-4-5-9-14(13)20-3)18-15(19)16(2)10-6-7-11-17-16/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,18,19)/t12-,16?/m0/s1
InChIKeyRELPPHDIXNJRCA-HKALDPMFSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 104596729
4-ethyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 63129157
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
methyl (2R)-2-(2-methoxyphenyl)-2-[(2R)-2-methylpiperidin-2-yl]acetate
CID 52947655
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide (CID 104597078) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide is COc1ccccc1[C@H](C)NC(=O)C1(C)CCCCN1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is RELPPHDIXNJRCA-HKALDPMFSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-8-4-5-9-14(13)20-3)18-15(19)16(2)10-6-7-11-17-16/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,18,19)/t12-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104597078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).