4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide

C20H22ClN3O3 — CID 46700417

IUPAC4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(COc1ccccc1Cl)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O3/c21-17-8-4-5-9-18(17)27-14-19(25)22-16-10-12-24(13-11-16)20(26)23-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)(H,23,26)
InChIKeyUBFGDHGNJUZRDY-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.53
Rot. Bonds5

About 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46700417) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46700417
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(COc1ccccc1Cl)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O3/c21-17-8-4-5-9-18(17)27-14-19(25)22-16-10-12-24(13-11-16)20(26)23-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)(H,23,26)
InChIKeyUBFGDHGNJUZRDY-UHFFFAOYSA-N
XLogP3.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 46454463
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide (CID 46700417) is 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide is O=C(COc1ccccc1Cl)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is UBFGDHGNJUZRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-17-8-4-5-9-18(17)27-14-19(25)22-16-10-12-24(13-11-16)20(26)23-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)(H,23,26).
What are the key properties of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46700417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).