N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide

C16H26N4O2 — CID 56891405

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)CC1COCCN1
InChIInChI=1S/C16H26N4O2/c1-20(16(21)9-12-11-22-8-7-17-12)10-15-13-5-3-2-4-6-14(13)18-19-15/h12,17H,2-11H2,1H3,(H,18,19)
InChIKeyFOHMOZZMPPGBPW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.02
Rot. Bonds4

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide (PubChem CID 56891405) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide
PubChem CID56891405
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)CC1COCCN1
InChIInChI=1S/C16H26N4O2/c1-20(16(21)9-12-11-22-8-7-17-12)10-15-13-5-3-2-4-6-14(13)18-19-15/h12,17H,2-11H2,1H3,(H,18,19)
InChIKeyFOHMOZZMPPGBPW-UHFFFAOYSA-N
XLogP1.02
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide 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 N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide (CID 56891405) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC1COCCN1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide?
The InChIKey is FOHMOZZMPPGBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-20(16(21)9-12-11-22-8-7-17-12)10-15-13-5-3-2-4-6-14(13)18-19-15/h12,17H,2-11H2,1H3,(H,18,19).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).