phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate

C20H21ClN2O4 — CID 108560540

IUPACphenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C20H21ClN2O4/c1-26-18-8-7-14(21)13-17(18)19(24)22-15-9-11-23(12-10-15)20(25)27-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyUNBWYTIOMXLVBL-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.74
Rot. Bonds4

About phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate

phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108560540) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID108560540
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Namephenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C20H21ClN2O4/c1-26-18-8-7-14(21)13-17(18)19(24)22-15-9-11-23(12-10-15)20(25)27-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyUNBWYTIOMXLVBL-UHFFFAOYSA-N
XLogP3.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
CID 108562900
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate (CID 108560540) is phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is UNBWYTIOMXLVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-26-18-8-7-14(21)13-17(18)19(24)22-15-9-11-23(12-10-15)20(25)27-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,24).
What are the key properties of phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate?
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 388.85 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108560540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).