(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C20H30N2O — CID 166781988

IUPAC(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(Nc3ccccc3)CCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-16(2)17-10-14-22(15-11-17)19(23)20(12-6-7-13-20)21-18-8-4-3-5-9-18/h3-5,8-9,16-17,21H,6-7,10-15H2,1-2H3
InChIKeyGUYYUQGKPVDLQY-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.31
Rot. Bonds4

About (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 166781988) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID166781988
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(Nc3ccccc3)CCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-16(2)17-10-14-22(15-11-17)19(23)20(12-6-7-13-20)21-18-8-4-3-5-9-18/h3-5,8-9,16-17,21H,6-7,10-15H2,1-2H3
InChIKeyGUYYUQGKPVDLQY-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 166781988) is (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(Nc3ccccc3)CCCC2)CC1.
What is the InChIKey of (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is GUYYUQGKPVDLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16(2)17-10-14-22(15-11-17)19(23)20(12-6-7-13-20)21-18-8-4-3-5-9-18/h3-5,8-9,16-17,21H,6-7,10-15H2,1-2H3.
What are the key properties of (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 314.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilinocyclopentyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 166781988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).