(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone

C19H30N4O2 — CID 175658232

IUPAC(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCC(CCC3CNCCO3)CC2)c2c1CCC2
InChIInChI=1S/C19H30N4O2/c1-22-17-4-2-3-16(17)18(21-22)19(24)23-10-7-14(8-11-23)5-6-15-13-20-9-12-25-15/h14-15,20H,2-13H2,1H3
InChIKeyMWYBLWXTJLIRMW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.53
Rot. Bonds4

About (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone

(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 175658232) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone
PubChem CID175658232
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCC(CCC3CNCCO3)CC2)c2c1CCC2
InChIInChI=1S/C19H30N4O2/c1-22-17-4-2-3-16(17)18(21-22)19(24)23-10-7-14(8-11-23)5-6-15-13-20-9-12-25-15/h14-15,20H,2-13H2,1H3
InChIKeyMWYBLWXTJLIRMW-UHFFFAOYSA-N
XLogP1.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone (CID 175658232) is (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone is Cn1nc(C(=O)N2CCC(CCC3CNCCO3)CC2)c2c1CCC2.
What is the InChIKey of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is MWYBLWXTJLIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22-17-4-2-3-16(17)18(21-22)19(24)23-10-7-14(8-11-23)5-6-15-13-20-9-12-25-15/h14-15,20H,2-13H2,1H3.
What are the key properties of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone?
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-(2-morpholin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175658232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).