[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone

C22H27ClN4O — CID 109166494

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
SMILESCC1CCN(c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccn2)CC1
InChIInChI=1S/C22H27ClN4O/c1-17-6-9-26(10-7-17)21-15-18(5-8-24-21)22(28)27-13-11-25(12-14-27)20-4-2-3-19(23)16-20/h2-5,8,15-17H,6-7,9-14H2,1H3
InChIKeyOPLYCQQIUOZZAK-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.93
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone (PubChem CID 109166494) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
PubChem CID109166494
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
SMILESCC1CCN(c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccn2)CC1
InChIInChI=1S/C22H27ClN4O/c1-17-6-9-26(10-7-17)21-15-18(5-8-24-21)22(28)27-13-11-25(12-14-27)20-4-2-3-19(23)16-20/h2-5,8,15-17H,6-7,9-14H2,1H3
InChIKeyOPLYCQQIUOZZAK-UHFFFAOYSA-N
XLogP3.93
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
[3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53175259
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
CID 109174451
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone (CID 109166494) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone is CC1CCN(c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccn2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone?
The InChIKey is OPLYCQQIUOZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-17-6-9-26(10-7-17)21-15-18(5-8-24-21)22(28)27-13-11-25(12-14-27)20-4-2-3-19(23)16-20/h2-5,8,15-17H,6-7,9-14H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone has a molecular weight of 398.94 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109166494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).