(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C23H37N5O — CID 74316729

IUPAC(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCC1NNC(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)C1C
InChIInChI=1S/C23H37N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,18-20,22,24-25H,4,7,9,11-16H2,1-3H3
InChIKeyHVASENLEIYHNNM-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.00
Rot. Bonds4

About (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 74316729) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID74316729
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCC1NNC(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)C1C
InChIInChI=1S/C23H37N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,18-20,22,24-25H,4,7,9,11-16H2,1-3H3
InChIKeyHVASENLEIYHNNM-UHFFFAOYSA-N
XLogP2.00
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 74316729) is (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is CCC1NNC(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)C1C.
What is the InChIKey of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is HVASENLEIYHNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,18-20,22,24-25H,4,7,9,11-16H2,1-3H3.
What are the key properties of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 399.58 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 74316729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).