N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide

C18H30N4O2 — CID 110813184

IUPACN-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide
SMILESCc1cc(CC(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)c(C)[nH]1
InChIInChI=1S/C18H30N4O2/c1-13-10-15(14(2)20-13)11-16(23)21-6-8-22(9-7-21)17(24)19-12-18(3,4)5/h10,20H,6-9,11-12H2,1-5H3,(H,19,24)
InChIKeyPVRGTRFAAYSOOC-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.07
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide

N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide (PubChem CID 110813184) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide
PubChem CID110813184
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide
SMILESCc1cc(CC(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)c(C)[nH]1
InChIInChI=1S/C18H30N4O2/c1-13-10-15(14(2)20-13)11-16(23)21-6-8-22(9-7-21)17(24)19-12-18(3,4)5/h10,20H,6-9,11-12H2,1-5H3,(H,19,24)
InChIKeyPVRGTRFAAYSOOC-UHFFFAOYSA-N
XLogP2.07
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110813181
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone
CID 110773449
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813956
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110802701
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110773513
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110809731
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801270
1-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110814890
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110815207
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110816510

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide (CID 110813184) is N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide is Cc1cc(CC(=O)N2CCN(C(=O)NCC(C)(C)C)CC2)c(C)[nH]1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is PVRGTRFAAYSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-10-15(14(2)20-13)11-16(23)21-6-8-22(9-7-21)17(24)19-12-18(3,4)5/h10,20H,6-9,11-12H2,1-5H3,(H,19,24).
What are the key properties of N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).