N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide

C18H24N4O2 — CID 72870748

IUPACN-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H24N4O2/c23-18(20-15-1-2-17-14(13-15)3-6-19-17)22-9-7-21(8-10-22)16-4-11-24-12-5-16/h1-3,6,13,16,19H,4-5,7-12H2,(H,20,23)
InChIKeyYQVOTYAJEUIAJN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.50
Rot. Bonds2

About N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide

N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 72870748) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID72870748
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H24N4O2/c23-18(20-15-1-2-17-14(13-15)3-6-19-17)22-9-7-21(8-10-22)16-4-11-24-12-5-16/h1-3,6,13,16,19H,4-5,7-12H2,(H,20,23)
InChIKeyYQVOTYAJEUIAJN-UHFFFAOYSA-N
XLogP2.50
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
CID 96536158
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-[1-(1H-indol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 75605520
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126773025
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812
N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730749
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide (CID 72870748) is N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is YQVOTYAJEUIAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(20-15-1-2-17-14(13-15)3-6-19-17)22-9-7-21(8-10-22)16-4-11-24-12-5-16/h1-3,6,13,16,19H,4-5,7-12H2,(H,20,23).
What are the key properties of N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72870748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).