N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide

C22H34N4O — CID 134080848

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCN(CC1NNC2CCCCC21)C(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-25(15-21-19-9-5-6-10-20(19)23-24-21)22(27)16-26-13-11-18(12-14-26)17-7-3-2-4-8-17/h2-4,7-8,18-21,23-24H,5-6,9-16H2,1H3
InChIKeyZNONOXLXDNBGST-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.36
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 134080848) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID134080848
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCN(CC1NNC2CCCCC21)C(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-25(15-21-19-9-5-6-10-20(19)23-24-21)22(27)16-26-13-11-18(12-14-26)17-7-3-2-4-8-17/h2-4,7-8,18-21,23-24H,5-6,9-16H2,1H3
InChIKeyZNONOXLXDNBGST-UHFFFAOYSA-N
XLogP2.36
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide (CID 134080848) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide is CN(CC1NNC2CCCCC21)C(=O)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is ZNONOXLXDNBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-25(15-21-19-9-5-6-10-20(19)23-24-21)22(27)16-26-13-11-18(12-14-26)17-7-3-2-4-8-17/h2-4,7-8,18-21,23-24H,5-6,9-16H2,1H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 370.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 134080848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).