4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

C16H20N4O2 — CID 34224299

IUPAC4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H20N4O2/c1-18(2)16(22)20-9-7-19(8-10-20)15(21)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeyHKPXSYPTBWBLSD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.61
Rot. Bonds1

About 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 34224299) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID34224299
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H20N4O2/c1-18(2)16(22)20-9-7-19(8-10-20)15(21)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeyHKPXSYPTBWBLSD-UHFFFAOYSA-N
XLogP1.61
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (CID 34224299) is 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is HKPXSYPTBWBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18(2)16(22)20-9-7-19(8-10-20)15(21)14-11-12-5-3-4-6-13(12)17-14/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 34224299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).