1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide

C20H32N2O2 — CID 124847702

IUPAC1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCO[C@H](CN1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H32N2O2/c1-15(2)16(3)21-20(23)18-10-12-22(13-11-18)14-19(24-4)17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H,21,23)/t16-,19-/m1/s1
InChIKeyLJVKCLCTHLTMOT-VQIMIIECSA-N
MW332.49 g/mol
LogP3.25
Rot. Bonds7

About 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide

1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 124847702) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
PubChem CID124847702
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCO[C@H](CN1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H32N2O2/c1-15(2)16(3)21-20(23)18-10-12-22(13-11-18)14-19(24-4)17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H,21,23)/t16-,19-/m1/s1
InChIKeyLJVKCLCTHLTMOT-VQIMIIECSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526502
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide (CID 124847702) is 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide is CO[C@H](CN1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is LJVKCLCTHLTMOT-VQIMIIECSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(2)16(3)21-20(23)18-10-12-22(13-11-18)14-19(24-4)17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3,(H,21,23)/t16-,19-/m1/s1.
What are the key properties of 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 124847702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).