benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate

C23H29N3O4 — CID 70187024

IUPACbenzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate
SMILESNC(=O)N(C(=O)OCc1ccccc1)[C@@H](CON1CCCCC1)Cc1ccccc1
InChIInChI=1S/C23H29N3O4/c24-22(27)26(23(28)29-17-20-12-6-2-7-13-20)21(16-19-10-4-1-5-11-19)18-30-25-14-8-3-9-15-25/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H2,24,27)/t21-/m1/s1
InChIKeyLVNIZKTUFIPBFL-OAQYLSRUSA-N
MW411.50 g/mol
LogP3.73
Rot. Bonds8

About benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate

benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate (PubChem CID 70187024) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate
PubChem CID70187024
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Namebenzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate
SMILESNC(=O)N(C(=O)OCc1ccccc1)[C@@H](CON1CCCCC1)Cc1ccccc1
InChIInChI=1S/C23H29N3O4/c24-22(27)26(23(28)29-17-20-12-6-2-7-13-20)21(16-19-10-4-1-5-11-19)18-30-25-14-8-3-9-15-25/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H2,24,27)/t21-/m1/s1
InChIKeyLVNIZKTUFIPBFL-OAQYLSRUSA-N
XLogP3.73
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-carbamoyl-N-[(2R)-1-hydroxy-3-(2-pyrrolidin-1-ylphenyl)propan-2-yl]carbamate
CID 140982504
[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride
CID 70188455
benzyl piperidine-1-carboxylate
CID 158057698
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
benzyl N-(1,3-dihydroisoindol-2-yl)-N-methylcarbamate
CID 133060158
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]propanoic acid
CID 118678929
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl N-(2-iodophenyl)-N-piperidin-1-ylcarbamate
CID 165178384
4-oxo-3-[phenylmethoxycarbonyl(propyl)amino]-4-piperidin-1-ylbutanoic acid
CID 156691427
benzyl N-piperidin-1-ylcarbamate
CID 3770567

Frequently Asked Questions

What is the IUPAC name of benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate?
The IUPAC name of benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate (CID 70187024) is benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate?
The canonical SMILES for benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate is NC(=O)N(C(=O)OCc1ccccc1)[C@@H](CON1CCCCC1)Cc1ccccc1.
What is the InChIKey of benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate?
The InChIKey is LVNIZKTUFIPBFL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O4/c24-22(27)26(23(28)29-17-20-12-6-2-7-13-20)21(16-19-10-4-1-5-11-19)18-30-25-14-8-3-9-15-25/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H2,24,27)/t21-/m1/s1.
What are the key properties of benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate?
benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate has a molecular weight of 411.50 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate is sourced from PubChem (CID 70187024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).