benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate

C19H28N2O3 — CID 10640341

IUPACbenzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
SMILESCC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCC2=CC=CC=C2
InChIInChI=1S/C19H28N2O3/c1-19(2,3)14-20-18(23)21-12-8-7-11-16(21)17(22)24-13-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyYIWSWQUATDBTQO-INIZCTEOSA-N
MW332.40 g/mol
LogP3.60
Rot. Bonds6

About benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate

benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate (PubChem CID 10640341) has the molecular formula C19H28N2O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
PubChem CID10640341
Molecular FormulaC19H28N2O3
Molecular Weight332.40 g/mol
Exact Mass332.21
IUPAC Namebenzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
SMILESCC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCC2=CC=CC=C2
InChIInChI=1S/C19H28N2O3/c1-19(2,3)14-20-18(23)21-12-8-7-11-16(21)17(22)24-13-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyYIWSWQUATDBTQO-INIZCTEOSA-N
XLogP3.60
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity425

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine-4-Carboxylic Acid (1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl)Amide
CID 5287799
N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-cyclohexyl-1-oxopropan-2-yl)morpholine-4-carboxamide
CID 10252805
Morpholine-4-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-3,3-dimethyl-butyl}-amide
CID 11058796
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
N-[(2S)-1-[[(1R)-1-cyano-2-[(2-methylphenyl)methoxy]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 10906131
(R)-2-[(2-Ethyl-piperidine-1-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 16681789
Morpholine-4-carboxylic acid (1-{[cyano-(2-methyl-benzyloxymethyl)-methyl]-carbamoyl}-3-methyl-butyl)-amide
CID 10938614
benzyl N-[(2S)-1-morpholin-4-yl-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71452147
N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
CID 46937176
Benzyl 6-methylpiperidine-2-carboxylate
CID 2834681
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 2998360
3-Methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester
CID 2999218

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate (CID 10640341) is benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate is CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)OCC2=CC=CC=C2.
What is the InChIKey of benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate?
The InChIKey is YIWSWQUATDBTQO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)14-20-18(23)21-12-8-7-11-16(21)17(22)24-13-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate?
benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate is sourced from PubChem (CID 10640341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).