[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C19H28N2O — CID 174727884

IUPAC[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(CCN2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H28N2O/c1-16-5-4-6-17(15-16)7-12-20-13-8-18(9-14-20)19(22)21-10-2-3-11-21/h4-6,15,18H,2-3,7-14H2,1H3
InChIKeyCWPDDWPVJLOXNV-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.87
Rot. Bonds4

About [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 174727884) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID174727884
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(CCN2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H28N2O/c1-16-5-4-6-17(15-16)7-12-20-13-8-18(9-14-20)19(22)21-10-2-3-11-21/h4-6,15,18H,2-3,7-14H2,1H3
InChIKeyCWPDDWPVJLOXNV-UHFFFAOYSA-N
XLogP2.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110797482
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
cyclopropyl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110797103
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113003721
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951631
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
azepan-1-yl-[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methanone
CID 55828744
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 174727884) is [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(CCN2CCC(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CWPDDWPVJLOXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16-5-4-6-17(15-16)7-12-20-13-8-18(9-14-20)19(22)21-10-2-3-11-21/h4-6,15,18H,2-3,7-14H2,1H3.
What are the key properties of [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 174727884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).