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

C14H19ClN2O — CID 69347873

IUPAC2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c15-12-5-3-4-11(8-12)10-17-7-2-1-6-13(17)9-14(16)18/h3-5,8,13H,1-2,6-7,9-10H2,(H2,16,18)
InChIKeyUHRPQNJCAVGYAZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.57
Rot. Bonds4

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

2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide (PubChem CID 69347873) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
PubChem CID69347873
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O/c15-12-5-3-4-11(8-12)10-17-7-2-1-6-13(17)9-14(16)18/h3-5,8,13H,1-2,6-7,9-10H2,(H2,16,18)
InChIKeyUHRPQNJCAVGYAZ-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
CID 52506806
2-(1-benzylpiperidin-2-yl)ethanethioamide
CID 18940971
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-N-methylpropan-1-amine
CID 83982486
5-[[1-[(3-chlorophenyl)methyl]piperidin-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 122053736
2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
CID 97157820
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide (CID 69347873) is 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide is NC(=O)CC1CCCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide?
The InChIKey is UHRPQNJCAVGYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-5-3-4-11(8-12)10-17-7-2-1-6-13(17)9-14(16)18/h3-5,8,13H,1-2,6-7,9-10H2,(H2,16,18).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide?
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide has a molecular weight of 266.77 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 69347873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).