[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C21H25N3O — CID 56818478

IUPAC[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cccc(C2(C(=O)N3CCN(Cc4cccnc4)CC3)CC2)c1
InChIInChI=1S/C21H25N3O/c1-17-4-2-6-19(14-17)21(7-8-21)20(25)24-12-10-23(11-13-24)16-18-5-3-9-22-15-18/h2-6,9,14-15H,7-8,10-13,16H2,1H3
InChIKeyAQBGNQHYNREGNX-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.77
Rot. Bonds4

About [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56818478) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID56818478
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cccc(C2(C(=O)N3CCN(Cc4cccnc4)CC3)CC2)c1
InChIInChI=1S/C21H25N3O/c1-17-4-2-6-19(14-17)21(7-8-21)20(25)24-12-10-23(11-13-24)16-18-5-3-9-22-15-18/h2-6,9,14-15H,7-8,10-13,16H2,1H3
InChIKeyAQBGNQHYNREGNX-UHFFFAOYSA-N
XLogP2.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
CID 56818470
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
(2R)-2-(3-methylphenyl)-2-[[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]amino]acetic acid
CID 126438621
1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819704
(E)-4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-enoic acid
CID 60949229
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 46963018

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 56818478) is [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is Cc1cccc(C2(C(=O)N3CCN(Cc4cccnc4)CC3)CC2)c1.
What is the InChIKey of [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is AQBGNQHYNREGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17-4-2-6-19(14-17)21(7-8-21)20(25)24-12-10-23(11-13-24)16-18-5-3-9-22-15-18/h2-6,9,14-15H,7-8,10-13,16H2,1H3.
What are the key properties of [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56818478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).