(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone

C18H31NO — CID 79057458

IUPAC(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCC1CCC(C(=O)C2(N3CCCCC3)CCCC2)CC1
InChIInChI=1S/C18H31NO/c1-15-7-9-16(10-8-15)17(20)18(11-3-4-12-18)19-13-5-2-6-14-19/h15-16H,2-14H2,1H3
InChIKeyXPYYNNQWJKHGRD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.18
Rot. Bonds3

About (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone

(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone (PubChem CID 79057458) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone
PubChem CID79057458
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCC1CCC(C(=O)C2(N3CCCCC3)CCCC2)CC1
InChIInChI=1S/C18H31NO/c1-15-7-9-16(10-8-15)17(20)18(11-3-4-12-18)19-13-5-2-6-14-19/h15-16H,2-14H2,1H3
InChIKeyXPYYNNQWJKHGRD-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone (CID 79057458) is (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone is CC1CCC(C(=O)C2(N3CCCCC3)CCCC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone?
The InChIKey is XPYYNNQWJKHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15-7-9-16(10-8-15)17(20)18(11-3-4-12-18)19-13-5-2-6-14-19/h15-16H,2-14H2,1H3.
What are the key properties of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone?
(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone has a molecular weight of 277.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 79057458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).