(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone

C23H34N6O — CID 42278318

IUPAC(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)CC1
InChIInChI=1S/C23H34N6O/c1-3-27-12-14-29(15-13-27)23(30)20-4-6-22(7-5-20)28-10-8-21(9-11-28)24-16-19-17-25-26(2)18-19/h4-7,17-18,21,24H,3,8-16H2,1-2H3
InChIKeyHDMXJKDJKCJZFB-UHFFFAOYSA-N
MW410.57 g/mol
LogP1.96
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone

(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone (PubChem CID 42278318) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
PubChem CID42278318
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)CC1
InChIInChI=1S/C23H34N6O/c1-3-27-12-14-29(15-13-27)23(30)20-4-6-22(7-5-20)28-10-8-21(9-11-28)24-16-19-17-25-26(2)18-19/h4-7,17-18,21,24H,3,8-16H2,1-2H3
InChIKeyHDMXJKDJKCJZFB-UHFFFAOYSA-N
XLogP1.96
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone (CID 42278318) is (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone is CCN1CCN(C(=O)c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone?
The InChIKey is HDMXJKDJKCJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-3-27-12-14-29(15-13-27)23(30)20-4-6-22(7-5-20)28-10-8-21(9-11-28)24-16-19-17-25-26(2)18-19/h4-7,17-18,21,24H,3,8-16H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone has a molecular weight of 410.57 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone is sourced from PubChem (CID 42278318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).