1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone

C18H18N4O — CID 7595065

IUPAC1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O/c23-18(17-15-8-4-5-9-16(15)19-20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyFBDNDPPQEFBFJC-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.53
Rot. Bonds2

About 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone

1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 7595065) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID7595065
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O/c23-18(17-15-8-4-5-9-16(15)19-20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyFBDNDPPQEFBFJC-UHFFFAOYSA-N
XLogP2.53
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90772263
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone (CID 7595065) is 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FBDNDPPQEFBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(17-15-8-4-5-9-16(15)19-20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone?
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 7595065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).