(4-methylphenyl)carbamoyl piperidine-1-carboxylate

C14H18N2O3 — CID 141438736

IUPAC(4-methylphenyl)carbamoyl piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18N2O3/c1-11-5-7-12(8-6-11)15-13(17)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyYIMWNDRIVHBRGO-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.15
Rot. Bonds1

About (4-methylphenyl)carbamoyl piperidine-1-carboxylate

(4-methylphenyl)carbamoyl piperidine-1-carboxylate (PubChem CID 141438736) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4-methylphenyl)carbamoyl piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)carbamoyl piperidine-1-carboxylate
PubChem CID141438736
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(4-methylphenyl)carbamoyl piperidine-1-carboxylate
SMILESCc1ccc(NC(=O)OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H18N2O3/c1-11-5-7-12(8-6-11)15-13(17)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyYIMWNDRIVHBRGO-UHFFFAOYSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
(4-acetamidophenyl)methyl piperidine-1-carboxylate
CID 67794998
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
CID 110179174
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
amino N-(4-methylphenyl)carbamate
CID 22737872
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)carbamoyl piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)carbamoyl piperidine-1-carboxylate (CID 141438736) is (4-methylphenyl)carbamoyl piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)carbamoyl piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)carbamoyl piperidine-1-carboxylate is Cc1ccc(NC(=O)OC(=O)N2CCCCC2)cc1.
What is the InChIKey of (4-methylphenyl)carbamoyl piperidine-1-carboxylate?
The InChIKey is YIMWNDRIVHBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11-5-7-12(8-6-11)15-13(17)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17).
What are the key properties of (4-methylphenyl)carbamoyl piperidine-1-carboxylate?
(4-methylphenyl)carbamoyl piperidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)carbamoyl piperidine-1-carboxylate is sourced from PubChem (CID 141438736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).