[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone

C17H23ClN2O — CID 63131937

IUPAC[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C17H23ClN2O/c1-17(8-4-9-19-12-17)16(21)20-10-3-7-15(20)13-5-2-6-14(18)11-13/h2,5-6,11,15,19H,3-4,7-10,12H2,1H3
InChIKeyKRXYEELOPLKBMT-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.39
Rot. Bonds2

About [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone

[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone (PubChem CID 63131937) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
PubChem CID63131937
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCCC2c2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C17H23ClN2O/c1-17(8-4-9-19-12-17)16(21)20-10-3-7-15(20)13-5-2-6-14(18)11-13/h2,5-6,11,15,19H,3-4,7-10,12H2,1H3
InChIKeyKRXYEELOPLKBMT-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611255
(4-methylpiperidin-4-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 63121925
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanone
CID 160684070
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone (CID 63131937) is [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)N2CCCC2c2cccc(Cl)c2)CCCNC1.
What is the InChIKey of [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The InChIKey is KRXYEELOPLKBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-17(8-4-9-19-12-17)16(21)20-10-3-7-15(20)13-5-2-6-14(18)11-13/h2,5-6,11,15,19H,3-4,7-10,12H2,1H3.
What are the key properties of [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone?
[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone has a molecular weight of 306.84 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 63131937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).