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

C17H21ClN2O3 — CID 113002538

IUPAC1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-13-1-5-15(6-2-13)23-11-16(21)20-9-7-12(8-10-20)17(22)19-14-3-4-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,19,22)
InChIKeyCNWNEVHELSJBPB-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.24
Rot. Bonds5

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

1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 113002538) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID113002538
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-13-1-5-15(6-2-13)23-11-16(21)20-9-7-12(8-10-20)17(22)19-14-3-4-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,19,22)
InChIKeyCNWNEVHELSJBPB-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 42693238
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide (CID 113002538) is 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is CNWNEVHELSJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-13-1-5-15(6-2-13)23-11-16(21)20-9-7-12(8-10-20)17(22)19-14-3-4-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,19,22).
What are the key properties of 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 113002538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).