(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone

C19H27N5O — CID 89185858

IUPAC(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone
SMILESCc1c(CN(C)C2CCN(C(=O)c3ccc(N)cc3)CC2)cnn1C
InChIInChI=1S/C19H27N5O/c1-14-16(12-21-23(14)3)13-22(2)18-8-10-24(11-9-18)19(25)15-4-6-17(20)7-5-15/h4-7,12,18H,8-11,13,20H2,1-3H3
InChIKeyXOLVNLBKDINUDI-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.05
Rot. Bonds4

About (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone

(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone (PubChem CID 89185858) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone
PubChem CID89185858
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone
SMILESCc1c(CN(C)C2CCN(C(=O)c3ccc(N)cc3)CC2)cnn1C
InChIInChI=1S/C19H27N5O/c1-14-16(12-21-23(14)3)13-22(2)18-8-10-24(11-9-18)19(25)15-4-6-17(20)7-5-15/h4-7,12,18H,8-11,13,20H2,1-3H3
InChIKeyXOLVNLBKDINUDI-UHFFFAOYSA-N
XLogP2.05
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone (CID 89185858) is (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone is Cc1c(CN(C)C2CCN(C(=O)c3ccc(N)cc3)CC2)cnn1C.
What is the InChIKey of (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone?
The InChIKey is XOLVNLBKDINUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-16(12-21-23(14)3)13-22(2)18-8-10-24(11-9-18)19(25)15-4-6-17(20)7-5-15/h4-7,12,18H,8-11,13,20H2,1-3H3.
What are the key properties of (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone?
(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 89185858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).