(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone

C23H26N4O — CID 118143965

IUPAC(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1N
InChIInChI=1S/C23H26N4O/c1-16-3-4-20(13-22(16)24)23(28)27-11-9-19(10-12-27)17-5-7-18(8-6-17)21-14-25-26(2)15-21/h3-8,13-15,19H,9-12,24H2,1-2H3
InChIKeyDLIUDDNFQOYERZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.00
Rot. Bonds3

About (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone

(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone (PubChem CID 118143965) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
PubChem CID118143965
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1N
InChIInChI=1S/C23H26N4O/c1-16-3-4-20(13-22(16)24)23(28)27-11-9-19(10-12-27)17-5-7-18(8-6-17)21-14-25-26(2)15-21/h3-8,13-15,19H,9-12,24H2,1-2H3
InChIKeyDLIUDDNFQOYERZ-UHFFFAOYSA-N
XLogP4.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-1-(1-propylazetidin-3-yl)ethanone
CID 160997400
1-(2-chloropyrimidin-5-yl)-2-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 159907912
2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
CID 118144211
N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide
CID 118144152
(4-fluoro-3-nitrophenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118144097
2-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-1-[2-(2-methylpropyl)pyrimidin-5-yl]ethanone
CID 147020163
6-(dimethylamino)-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646018
N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 118146836
(3-amino-4-methoxyphenyl)-[3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone
CID 118144169
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone (CID 118143965) is (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1N.
What is the InChIKey of (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
The InChIKey is DLIUDDNFQOYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-3-4-20(13-22(16)24)23(28)27-11-9-19(10-12-27)17-5-7-18(8-6-17)21-14-25-26(2)15-21/h3-8,13-15,19H,9-12,24H2,1-2H3.
What are the key properties of (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118143965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).