N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide

C16H24N2O2 — CID 104597060

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2(C)CCCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-6-8-14(20-3)9-7-13)18-15(19)16(2)10-4-5-11-17-16/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)/t12-,16?/m0/s1
InChIKeyGZRGYUYMYUFTKN-HKALDPMFSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104597060) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
PubChem CID104597060
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2(C)CCCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-6-8-14(20-3)9-7-13)18-15(19)16(2)10-4-5-11-17-16/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)/t12-,16?/m0/s1
InChIKeyGZRGYUYMYUFTKN-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

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CID 131682
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2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
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N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
N-(4-methoxybenzyl)oleamide
CID 11502240
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide (CID 104597060) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide is COc1ccc([C@H](C)NC(=O)C2(C)CCCCN2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is GZRGYUYMYUFTKN-HKALDPMFSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-6-8-14(20-3)9-7-13)18-15(19)16(2)10-4-5-11-17-16/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)/t12-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide?
N-[(1S)-1-(4-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-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104597060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).