N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide

C15H20N4O2 — CID 126777380

IUPACN-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(Cc2ccc3cn[nH]c3c2)CCO1
InChIInChI=1S/C15H20N4O2/c1-11(20)16-8-14-10-19(4-5-21-14)9-12-2-3-13-7-17-18-15(13)6-12/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,16,20)(H,17,18)
InChIKeyFNPKRRBLBUNNFQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.90
Rot. Bonds4

About N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide

N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide (PubChem CID 126777380) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
PubChem CID126777380
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(Cc2ccc3cn[nH]c3c2)CCO1
InChIInChI=1S/C15H20N4O2/c1-11(20)16-8-14-10-19(4-5-21-14)9-12-2-3-13-7-17-18-15(13)6-12/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,16,20)(H,17,18)
InChIKeyFNPKRRBLBUNNFQ-UHFFFAOYSA-N
XLogP0.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide (CID 126777380) is N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide is CC(=O)NCC1CN(Cc2ccc3cn[nH]c3c2)CCO1.
What is the InChIKey of N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is FNPKRRBLBUNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(20)16-8-14-10-19(4-5-21-14)9-12-2-3-13-7-17-18-15(13)6-12/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide?
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 126777380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).