benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate

C15H21N3O3 — CID 93481132

IUPACbenzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C15H21N3O3/c1-12(14(19)18-9-7-16-8-10-18)17-15(20)21-11-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyUPVXCRJPOABYLO-LBPRGKRZSA-N
MW291.35 g/mol
LogP0.73
Rot. Bonds4

About benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate

benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate (PubChem CID 93481132) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
PubChem CID93481132
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namebenzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C15H21N3O3/c1-12(14(19)18-9-7-16-8-10-18)17-15(20)21-11-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyUPVXCRJPOABYLO-LBPRGKRZSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl N-[(2S)-1-oxo-1-[4-[4-(2-oxopropyl)phenyl]piperazin-1-yl]propan-2-yl]carbamate
CID 89449308
benzyl N-[(2S)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 18114923
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)carbamate
CID 22592468
4-oxo-3-(phenylmethoxycarbonylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 156690866
pyrrolidin-1-yl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 67865153
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate (CID 93481132) is benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCNCC1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?
The InChIKey is UPVXCRJPOABYLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-12(14(19)18-9-7-16-8-10-18)17-15(20)21-11-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 93481132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).