1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one

C18H25N3O — CID 110397461

IUPAC1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H25N3O/c1-2-3-8-18(22)21-11-9-20(10-12-21)14-15-13-19-17-7-5-4-6-16(15)17/h4-7,13,19H,2-3,8-12,14H2,1H3
InChIKeyZZNRSBWQUBOYTF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one

1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 110397461) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID110397461
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H25N3O/c1-2-3-8-18(22)21-11-9-20(10-12-21)14-15-13-19-17-7-5-4-6-16(15)17/h4-7,13,19H,2-3,8-12,14H2,1H3
InChIKeyZZNRSBWQUBOYTF-UHFFFAOYSA-N
XLogP3.00
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110397481
2-(1H-indol-3-yl)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819576
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 19572376
[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 796405
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 33120411
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one (CID 110397461) is 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is ZZNRSBWQUBOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-3-8-18(22)21-11-9-20(10-12-21)14-15-13-19-17-7-5-4-6-16(15)17/h4-7,13,19H,2-3,8-12,14H2,1H3.
What are the key properties of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one?
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 299.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110397461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).