N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide

C15H21ClN2O — CID 49437832

IUPACN-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(13-3-5-14(16)6-4-13)18-9-7-15(8-10-18)17-12(2)19/h3-6,11,15H,7-10H2,1-2H3,(H,17,19)
InChIKeyCPDHIQXEXRXZQF-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.00
Rot. Bonds3

About N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide

N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide (PubChem CID 49437832) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
PubChem CID49437832
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(13-3-5-14(16)6-4-13)18-9-7-15(8-10-18)17-12(2)19/h3-6,11,15H,7-10H2,1-2H3,(H,17,19)
InChIKeyCPDHIQXEXRXZQF-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide
CID 71124975
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
ethyl 1-[1-(4-chlorophenyl)ethyl]piperidine-4-carboxylate
CID 60561773
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide (CID 49437832) is N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide?
The InChIKey is CPDHIQXEXRXZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(13-3-5-14(16)6-4-13)18-9-7-15(8-10-18)17-12(2)19/h3-6,11,15H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide?
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide has a molecular weight of 280.80 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49437832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).