(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H29N3O — CID 167400923

IUPAC(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H29N3O/c1-15(2)16-6-8-17(9-7-16)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h3-5,10,15-17H,6-9,11-14H2,1-2H3
InChIKeyBBUZSEBXPJXTHR-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.19
Rot. Bonds3

About (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 167400923) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID167400923
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H29N3O/c1-15(2)16-6-8-17(9-7-16)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h3-5,10,15-17H,6-9,11-14H2,1-2H3
InChIKeyBBUZSEBXPJXTHR-UHFFFAOYSA-N
XLogP3.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
CID 53161589
cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 42194632
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677769
(4-pyridin-2-ylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9111433
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 167400923) is (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CC(C)C1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BBUZSEBXPJXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(2)16-6-8-17(9-7-16)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h3-5,10,15-17H,6-9,11-14H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 315.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 167400923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).