benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate

C20H21ClN2O3 — CID 68593392

IUPACbenzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
SMILESO=C(NC1CCCN(C(=O)c2ccc(Cl)cc2)C1)OCc1ccccc1
InChIInChI=1S/C20H21ClN2O3/c21-17-10-8-16(9-11-17)19(24)23-12-4-7-18(13-23)22-20(25)26-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)
InChIKeyPASVTUMEFKBJDW-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.87
Rot. Bonds4

About benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate

benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate (PubChem CID 68593392) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
PubChem CID68593392
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Namebenzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
SMILESO=C(NC1CCCN(C(=O)c2ccc(Cl)cc2)C1)OCc1ccccc1
InChIInChI=1S/C20H21ClN2O3/c21-17-10-8-16(9-11-17)19(24)23-12-4-7-18(13-23)22-20(25)26-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)
InChIKeyPASVTUMEFKBJDW-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidin-3-yl]carbamate
CID 118033815
benzyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566590
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
CID 66566796
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[1-(2-chloroacetyl)azepan-4-yl]carbamate
CID 156713841
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108567300
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
4-chloro-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 68593380

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate (CID 68593392) is benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate is O=C(NC1CCCN(C(=O)c2ccc(Cl)cc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate?
The InChIKey is PASVTUMEFKBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-17-10-8-16(9-11-17)19(24)23-12-4-7-18(13-23)22-20(25)26-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25).
What are the key properties of benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate?
benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate has a molecular weight of 372.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 68593392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).