4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide

C19H26N4O3 — CID 110812671

IUPAC4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C19H26N4O3/c1-12(2)20-18(26)23-9-7-22(8-10-23)16(24)13-5-6-15-14(11-13)19(3,4)17(25)21-15/h5-6,11-12H,7-10H2,1-4H3,(H,20,26)(H,21,25)
InChIKeyAQHNYLRKUXCLNW-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.79
Rot. Bonds2

About 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812671) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812671
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C19H26N4O3/c1-12(2)20-18(26)23-9-7-22(8-10-23)16(24)13-5-6-15-14(11-13)19(3,4)17(25)21-15/h5-6,11-12H,7-10H2,1-4H3,(H,20,26)(H,21,25)
InChIKeyAQHNYLRKUXCLNW-UHFFFAOYSA-N
XLogP1.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylpiperidine-1-carbonyl)-3,3-dimethyl-1H-indol-2-one
CID 110700531
3,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]-1H-indol-2-one
CID 82500507
4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one
CID 100815471
4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812476
N-propan-2-yl-4-(4-propan-2-ylsulfanylbenzoyl)piperazine-1-carboxamide
CID 110812714
4-(1,3-benzoxazole-6-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813679
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813511
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one
CID 138998945
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
5-[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-4-carbonyl]-3,3-dimethyl-1H-indol-2-one
CID 86654129
5-(2-bromoacetyl)-3,3-dimethyl-1H-indol-2-one
CID 10684264

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 110812671) is 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1.
What is the InChIKey of 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is AQHNYLRKUXCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)20-18(26)23-9-7-22(8-10-23)16(24)13-5-6-15-14(11-13)19(3,4)17(25)21-15/h5-6,11-12H,7-10H2,1-4H3,(H,20,26)(H,21,25).
What are the key properties of 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).