1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone

C19H28N2O — CID 119698792

IUPAC1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c22-19(15-18-7-4-12-20-18)21-13-10-17(11-14-21)9-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,20H,4,7-15H2
InChIKeyVEMOBRRQZXKCOH-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone

1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119698792) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119698792
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c22-19(15-18-7-4-12-20-18)21-13-10-17(11-14-21)9-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,20H,4,7-15H2
InChIKeyVEMOBRRQZXKCOH-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698291
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119692936
1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119687257
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119754563
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119833010
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119832684

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119698792) is 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is VEMOBRRQZXKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(15-18-7-4-12-20-18)21-13-10-17(11-14-21)9-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,20H,4,7-15H2.
What are the key properties of 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 300.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119698792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).