4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide

C17H22N8O — CID 154765240

IUPAC4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
SMILESCn1nnnc1CCNC(=O)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H22N8O/c1-23-16(20-21-22-23)6-8-19-17(26)25-11-9-24(10-12-25)15-4-2-3-14-13(15)5-7-18-14/h2-5,7,18H,6,8-12H2,1H3,(H,19,26)
InChIKeyUSNKEXABKFVQQJ-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.77
Rot. Bonds4

About 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide

4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide (PubChem CID 154765240) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
PubChem CID154765240
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
SMILESCn1nnnc1CCNC(=O)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H22N8O/c1-23-16(20-21-22-23)6-8-19-17(26)25-11-9-24(10-12-25)15-4-2-3-14-13(15)5-7-18-14/h2-5,7,18H,6,8-12H2,1H3,(H,19,26)
InChIKeyUSNKEXABKFVQQJ-UHFFFAOYSA-N
XLogP0.77
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide (CID 154765240) is 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide is Cn1nnnc1CCNC(=O)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is USNKEXABKFVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-23-16(20-21-22-23)6-8-19-17(26)25-11-9-24(10-12-25)15-4-2-3-14-13(15)5-7-18-14/h2-5,7,18H,6,8-12H2,1H3,(H,19,26).
What are the key properties of 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide?
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 154765240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).