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

C21H26ClN5O — CID 154755976

IUPAC[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCN1CCN(c2cc(C(=O)N3CCNC(c4ccccc4Cl)C3)ccn2)CC1
InChIInChI=1S/C21H26ClN5O/c1-25-10-12-26(13-11-25)20-14-16(6-7-24-20)21(28)27-9-8-23-19(15-27)17-4-2-3-5-18(17)22/h2-7,14,19,23H,8-13,15H2,1H3
InChIKeyABMSHILQWLAQJS-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.27
Rot. Bonds3

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

[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 154755976) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID154755976
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCN1CCN(c2cc(C(=O)N3CCNC(c4ccccc4Cl)C3)ccn2)CC1
InChIInChI=1S/C21H26ClN5O/c1-25-10-12-26(13-11-25)20-14-16(6-7-24-20)21(28)27-9-8-23-19(15-27)17-4-2-3-5-18(17)22/h2-7,14,19,23H,8-13,15H2,1H3
InChIKeyABMSHILQWLAQJS-UHFFFAOYSA-N
XLogP2.27
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154806869
(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124993865
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 95104986
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 126799294

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (CID 154755976) is [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is CN1CCN(c2cc(C(=O)N3CCNC(c4ccccc4Cl)C3)ccn2)CC1.
What is the InChIKey of [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is ABMSHILQWLAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-25-10-12-26(13-11-25)20-14-16(6-7-24-20)21(28)27-9-8-23-19(15-27)17-4-2-3-5-18(17)22/h2-7,14,19,23H,8-13,15H2,1H3.
What are the key properties of [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone has a molecular weight of 399.93 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 154755976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).