[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid

C13H15ClN2O3 — CID 154188443

IUPAC[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-9(2-4-10)12(17)16-7-5-11(6-8-16)15-13(18)19/h1-4,11,15H,5-8H2,(H,18,19)
InChIKeyDYWGUIMMFSCRFV-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.21
Rot. Bonds2

About [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid

[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid (PubChem CID 154188443) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
PubChem CID154188443
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-9(2-4-10)12(17)16-7-5-11(6-8-16)15-13(18)19/h1-4,11,15H,5-8H2,(H,18,19)
InChIKeyDYWGUIMMFSCRFV-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635164

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid (CID 154188443) is [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid?
The InChIKey is DYWGUIMMFSCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-3-1-9(2-4-10)12(17)16-7-5-11(6-8-16)15-13(18)19/h1-4,11,15H,5-8H2,(H,18,19).
What are the key properties of [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid?
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid has a molecular weight of 282.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 154188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).