(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone

C20H27N3O — CID 118548900

IUPAC(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone
SMILESCC1=CC(c2ccc(C(=O)N3CCN(C4CC4)CC3)cc2)CNC1
InChIInChI=1S/C20H27N3O/c1-15-12-18(14-21-13-15)16-2-4-17(5-3-16)20(24)23-10-8-22(9-11-23)19-6-7-19/h2-5,12,18-19,21H,6-11,13-14H2,1H3
InChIKeyMEKHPRMXJBURLN-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.24
Rot. Bonds3

About (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone

(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone (PubChem CID 118548900) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone
PubChem CID118548900
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone
SMILESCC1=CC(c2ccc(C(=O)N3CCN(C4CC4)CC3)cc2)CNC1
InChIInChI=1S/C20H27N3O/c1-15-12-18(14-21-13-15)16-2-4-17(5-3-16)20(24)23-10-8-22(9-11-23)19-6-7-19/h2-5,12,18-19,21H,6-11,13-14H2,1H3
InChIKeyMEKHPRMXJBURLN-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone
CID 24781527
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
[4-(oxan-4-yl)piperazin-1-yl]-[4-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97189193
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[4-methyl-3-(propan-2-ylideneamino)phenyl]methanone
CID 143254253
(4-fluorophenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone;oxalic acid
CID 2880178
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone (CID 118548900) is (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone is CC1=CC(c2ccc(C(=O)N3CCN(C4CC4)CC3)cc2)CNC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone?
The InChIKey is MEKHPRMXJBURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-12-18(14-21-13-15)16-2-4-17(5-3-16)20(24)23-10-8-22(9-11-23)19-6-7-19/h2-5,12,18-19,21H,6-11,13-14H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone has a molecular weight of 325.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[4-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)phenyl]methanone is sourced from PubChem (CID 118548900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).