(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone

C18H26N2O — CID 63129026

IUPAC(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCCC1(C(=O)N2CCC(c3ccccc3)C2)CCNCC1
InChIInChI=1S/C18H26N2O/c1-2-18(9-11-19-12-10-18)17(21)20-13-8-16(14-20)15-6-4-3-5-7-15/h3-7,16,19H,2,8-14H2,1H3
InChIKeyVBMWHAYLCDWMSO-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.78
Rot. Bonds3

About (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone

(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 63129026) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID63129026
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCCC1(C(=O)N2CCC(c3ccccc3)C2)CCNCC1
InChIInChI=1S/C18H26N2O/c1-2-18(9-11-19-12-10-18)17(21)20-13-8-16(14-20)15-6-4-3-5-7-15/h3-7,16,19H,2,8-14H2,1H3
InChIKeyVBMWHAYLCDWMSO-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
(4-ethylpiperidin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217313
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217135
(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63127692
(2-ethylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128124
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62833293
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220328
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 63129026) is (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone is CCC1(C(=O)N2CCC(c3ccccc3)C2)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is VBMWHAYLCDWMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-18(9-11-19-12-10-18)17(21)20-13-8-16(14-20)15-6-4-3-5-7-15/h3-7,16,19H,2,8-14H2,1H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63129026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).