2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide

C17H21ClN2O2 — CID 56813617

IUPAC2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H21ClN2O2/c18-14-3-1-2-13(11-14)17(6-7-17)16(22)20-8-4-12(5-9-20)10-15(19)21/h1-3,11-12H,4-10H2,(H2,19,21)
InChIKeyNPLDYNLZEMZBPI-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.49
Rot. Bonds4

About 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide

2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide (PubChem CID 56813617) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
PubChem CID56813617
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H21ClN2O2/c18-14-3-1-2-13(11-14)17(6-7-17)16(22)20-8-4-12(5-9-20)10-15(19)21/h1-3,11-12H,4-10H2,(H2,19,21)
InChIKeyNPLDYNLZEMZBPI-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
[1-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538567
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 120803979

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide (CID 56813617) is 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The InChIKey is NPLDYNLZEMZBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-14-3-1-2-13(11-14)17(6-7-17)16(22)20-8-4-12(5-9-20)10-15(19)21/h1-3,11-12H,4-10H2,(H2,19,21).
What are the key properties of 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide has a molecular weight of 320.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56813617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).