[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H23ClN2O — CID 883957

IUPAC[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C17H23ClN2O/c18-16-6-2-1-5-15(16)13-19-11-7-14(8-12-19)17(21)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2
InChIKeyJVRWDXZXOIIUPD-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.17
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 883957) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID883957
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C17H23ClN2O/c18-16-6-2-1-5-15(16)13-19-11-7-14(8-12-19)17(21)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2
InChIKeyJVRWDXZXOIIUPD-UHFFFAOYSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
1-[(2,6-Dichlorophenyl)methyl]pyrrolidine-2,5-dione
CID 2437699
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
3-[4-(4-Chlorobenzyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 580799
N1-(2,4-dichlorobenzyl)-N4-(2-(pyrrolidin-1-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748516
(3R,5S)-5-[2-(2-chlorophenyl)ethynyl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44564589
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4877450
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
2-(2-chlorobenzyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 3105239

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 883957) is [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCCC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JVRWDXZXOIIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-16-6-2-1-5-15(16)13-19-11-7-14(8-12-19)17(21)20-9-3-4-10-20/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 306.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 883957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).