[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C24H26N4O — CID 55756639

IUPAC[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCN(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H26N4O/c1-26(21-7-3-2-4-8-21)23-10-6-5-9-22(23)24(29)28-17-15-27(16-18-28)19-20-11-13-25-14-12-20/h2-14H,15-19H2,1H3
InChIKeyQRRMWQWQWYWXQI-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.81
Rot. Bonds5

About [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55756639) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID55756639
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCN(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C24H26N4O/c1-26(21-7-3-2-4-8-21)23-10-6-5-9-22(23)24(29)28-17-15-27(16-18-28)19-20-11-13-25-14-12-20/h2-14H,15-19H2,1H3
InChIKeyQRRMWQWQWYWXQI-UHFFFAOYSA-N
XLogP3.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856697
[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(2,3-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483246
(2-butoxyphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70745468
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
[2-[(2-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856709
(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 51206249
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 55756639) is [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is CN(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QRRMWQWQWYWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-26(21-7-3-2-4-8-21)23-10-6-5-9-22(23)24(29)28-17-15-27(16-18-28)19-20-11-13-25-14-12-20/h2-14H,15-19H2,1H3.
What are the key properties of [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55756639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).