benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate

C22H27N3O3 — CID 146163582

IUPACbenzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C22H27N3O3/c1-22(2,19-13-6-8-14-23-19)24-20(26)18-12-7-9-15-25(18)21(27)28-16-17-10-4-3-5-11-17/h3-6,8,10-11,13-14,18H,7,9,12,15-16H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyTWSDINYQLZWCMU-SFHVURJKSA-N
MW381.48 g/mol
LogP3.62
Rot. Bonds5

About benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate

benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 146163582) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID146163582
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Namebenzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C22H27N3O3/c1-22(2,19-13-6-8-14-23-19)24-20(26)18-12-7-9-15-25(18)21(27)28-16-17-10-4-3-5-11-17/h3-6,8,10-11,13-14,18H,7,9,12,15-16H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyTWSDINYQLZWCMU-SFHVURJKSA-N
XLogP3.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
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CID 24739662
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
CID 89352683
CID 89352683
benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 11752301
benzyl (2S)-2-[[(1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-pyridin-2-ylbutyl]carbamoyl]pyrrolidine-1-carboxylate
CID 95909184

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate (CID 146163582) is benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate is CC(C)(NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)c1ccccn1.
What is the InChIKey of benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is TWSDINYQLZWCMU-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,19-13-6-8-14-23-19)24-20(26)18-12-7-9-15-25(18)21(27)28-16-17-10-4-3-5-11-17/h3-6,8,10-11,13-14,18H,7,9,12,15-16H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate?
benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(2-pyridin-2-ylpropan-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 146163582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).