[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone

C21H27N3O — CID 70767557

IUPAC[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone
SMILESCCCc1cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C21H27N3O/c1-3-5-20-15-19(8-9-22-20)21(25)24-12-10-23(11-13-24)16-18-7-4-6-17(2)14-18/h4,6-9,14-15H,3,5,10-13,16H2,1-2H3
InChIKeyODQCHXHOAYJNTA-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.30
Rot. Bonds5

About [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone (PubChem CID 70767557) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone
PubChem CID70767557
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone
SMILESCCCc1cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C21H27N3O/c1-3-5-20-15-19(8-9-22-20)21(25)24-12-10-23(11-13-24)16-18-7-4-6-17(2)14-18/h4,6-9,14-15H,3,5,10-13,16H2,1-2H3
InChIKeyODQCHXHOAYJNTA-UHFFFAOYSA-N
XLogP3.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325261
[3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46492077
(2,3-dimethyl-1H-indol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 31282088
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
[3-(difluoromethoxy)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325271
[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325282
(5-bromofuran-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39322873
1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 70779876

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone?
The IUPAC name of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone (CID 70767557) is [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone.
What is the SMILES notation for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone?
The canonical SMILES for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone is CCCc1cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)ccn1.
What is the InChIKey of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone?
The InChIKey is ODQCHXHOAYJNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-5-20-15-19(8-9-22-20)21(25)24-12-10-23(11-13-24)16-18-7-4-6-17(2)14-18/h4,6-9,14-15H,3,5,10-13,16H2,1-2H3.
What are the key properties of [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone?
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone has a molecular weight of 337.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-propyl-4-pyridinyl)methanone is sourced from PubChem (CID 70767557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).