1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione

C23H30N4O3 — CID 29140624

IUPAC1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCCC1
InChIInChI=1S/C23H30N4O3/c28-21(25-11-4-1-5-12-25)9-6-10-22(29)26-13-15-27(16-14-26)23(30)20-17-18-7-2-3-8-19(18)24-20/h2-3,7-8,17,24H,1,4-6,9-16H2
InChIKeyGXLRZKYWQXIVOS-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.64
Rot. Bonds5

About 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione

1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione (PubChem CID 29140624) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
PubChem CID29140624
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCCC1
InChIInChI=1S/C23H30N4O3/c28-21(25-11-4-1-5-12-25)9-6-10-22(29)26-13-15-27(16-14-26)23(30)20-17-18-7-2-3-8-19(18)24-20/h2-3,7-8,17,24H,1,4-6,9-16H2
InChIKeyGXLRZKYWQXIVOS-UHFFFAOYSA-N
XLogP2.64
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione with MolForge

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Related Compounds

1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
CID 68509499
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119951047
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951046
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]butanenitrile
CID 51107120
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione?
The IUPAC name of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione (CID 29140624) is 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione.
What is the SMILES notation for 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione?
The canonical SMILES for 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione is O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)N1CCCCC1.
What is the InChIKey of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione?
The InChIKey is GXLRZKYWQXIVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-21(25-11-4-1-5-12-25)9-6-10-22(29)26-13-15-27(16-14-26)23(30)20-17-18-7-2-3-8-19(18)24-20/h2-3,7-8,17,24H,1,4-6,9-16H2.
What are the key properties of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione?
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione has a molecular weight of 410.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione is sourced from PubChem (CID 29140624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).