4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide

C21H22N4O2 — CID 67602344

IUPAC4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccccc2)C(Cc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H22N4O2/c22-21(27)24-10-11-25(20(26)15-6-2-1-3-7-15)18(14-24)13-17-12-16-8-4-5-9-19(16)23-17/h1-9,12,18,23H,10-11,13-14H2,(H2,22,27)
InChIKeyQVUFGPQANJCUIJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.62
Rot. Bonds3

About 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide

4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 67602344) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide
PubChem CID67602344
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccccc2)C(Cc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H22N4O2/c22-21(27)24-10-11-25(20(26)15-6-2-1-3-7-15)18(14-24)13-17-12-16-8-4-5-9-19(16)23-17/h1-9,12,18,23H,10-11,13-14H2,(H2,22,27)
InChIKeyQVUFGPQANJCUIJ-UHFFFAOYSA-N
XLogP2.62
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2,4-dibenzylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 139757452
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 21030345
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-2-yl)ethane-1,2-dione
CID 10269957
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 80504727
2-pentyl-1H-indole;piperazine-1-carboxamide
CID 174799325
2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetic acid
CID 155255124
(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate
CID 132938264
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709
4-benzoyl-N-[2-(benzylamino)ethyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 150242398
1-(4-benzoyl-3-ethylpiperazin-1-yl)-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 45485474
4-benzoyl-2-(1H-pyrrol-3-yl)piperazine-1-carboxamide
CID 141146311

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide (CID 67602344) is 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)c2ccccc2)C(Cc2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is QVUFGPQANJCUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-21(27)24-10-11-25(20(26)15-6-2-1-3-7-15)18(14-24)13-17-12-16-8-4-5-9-19(16)23-17/h1-9,12,18,23H,10-11,13-14H2,(H2,22,27).
What are the key properties of 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide?
4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-3-(1H-indol-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 67602344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).