1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C21H34N4O2 — CID 70762379

IUPAC1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C21H34N4O2/c26-21(9-8-20-18-6-1-2-7-19(18)22-23-20)25-11-4-3-5-17(25)10-12-24-13-15-27-16-14-24/h17H,1-16H2,(H,22,23)
InChIKeyBGRWPJJKYGTFBX-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 70762379) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID70762379
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C21H34N4O2/c26-21(9-8-20-18-6-1-2-7-19(18)22-23-20)25-11-4-3-5-17(25)10-12-24-13-15-27-16-14-24/h17H,1-16H2,(H,22,23)
InChIKeyBGRWPJJKYGTFBX-UHFFFAOYSA-N
XLogP2.32
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 70762379) is 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is O=C(CCc1n[nH]c2c1CCCC2)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is BGRWPJJKYGTFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c26-21(9-8-20-18-6-1-2-7-19(18)22-23-20)25-11-4-3-5-17(25)10-12-24-13-15-27-16-14-24/h17H,1-16H2,(H,22,23).
What are the key properties of 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 374.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 70762379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).