4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid

C25H35N5O4 — CID 141212145

IUPAC4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
SMILESCC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)O)CC2)n3C(C)C)CC1
InChIInChI=1S/C25H35N5O4/c1-17(2)26-7-9-27(10-8-26)23(31)19-5-6-21-20(15-19)16-22(30(21)18(3)4)24(32)28-11-13-29(14-12-28)25(33)34/h5-6,15-18H,7-14H2,1-4H3,(H,33,34)
InChIKeyDBTBUNDLNLOSFE-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.82
Rot. Bonds4

About 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid

4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid (PubChem CID 141212145) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
PubChem CID141212145
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
SMILESCC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)O)CC2)n3C(C)C)CC1
InChIInChI=1S/C25H35N5O4/c1-17(2)26-7-9-27(10-8-26)23(31)19-5-6-21-20(15-19)16-22(30(21)18(3)4)24(32)28-11-13-29(14-12-28)25(33)34/h5-6,15-18H,7-14H2,1-4H3,(H,33,34)
InChIKeyDBTBUNDLNLOSFE-UHFFFAOYSA-N
XLogP2.82
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[1-propan-2-yl-5-(4-propan-2-yl-1,4-diazepane-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylate
CID 24989543
(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
CID 146604568
[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681776
methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
CID 24959291
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 68682524
[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 174565317
4-[1-(2-chloro-4-pyridinyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 87488757
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 68683672
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261
(4-bromo-3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80980338
[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[3-(trifluoromethyl)phenyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24756984

Frequently Asked Questions

What is the IUPAC name of 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid (CID 141212145) is 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid is CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)O)CC2)n3C(C)C)CC1.
What is the InChIKey of 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid?
The InChIKey is DBTBUNDLNLOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-17(2)26-7-9-27(10-8-26)23(31)19-5-6-21-20(15-19)16-22(30(21)18(3)4)24(32)28-11-13-29(14-12-28)25(33)34/h5-6,15-18H,7-14H2,1-4H3,(H,33,34).
What are the key properties of 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid?
4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid has a molecular weight of 469.59 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 141212145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).