benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate

C21H24N2O4 — CID 75365770

IUPACbenzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-19-9-7-18(8-10-19)22-20(24)17-11-13-23(14-12-17)21(25)27-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24)
InChIKeyXVCGGIUNLDUARA-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.68
Rot. Bonds5

About benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 75365770) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID75365770
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-19-9-7-18(8-10-19)22-20(24)17-11-13-23(14-12-17)21(25)27-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24)
InChIKeyXVCGGIUNLDUARA-UHFFFAOYSA-N
XLogP3.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
CID 90350135
CID 90350135
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 122152865

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate (CID 75365770) is benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate is COc1ccc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is XVCGGIUNLDUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-19-9-7-18(8-10-19)22-20(24)17-11-13-23(14-12-17)21(25)27-15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24).
What are the key properties of benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 75365770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).