N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide

C20H32N4O2 — CID 110658659

IUPACN-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)c(C)n1C
InChIInChI=1S/C20H32N4O2/c1-15-13-18(16(2)22(15)3)19(25)14-23-9-11-24(12-10-23)20(26)21-17-7-5-4-6-8-17/h13,17H,4-12,14H2,1-3H3,(H,21,26)
InChIKeyDDMAAMCTIDZEQG-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.48
Rot. Bonds4

About N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide

N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 110658659) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID110658659
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)c(C)n1C
InChIInChI=1S/C20H32N4O2/c1-15-13-18(16(2)22(15)3)19(25)14-23-9-11-24(12-10-23)20(26)21-17-7-5-4-6-8-17/h13,17H,4-12,14H2,1-3H3,(H,21,26)
InChIKeyDDMAAMCTIDZEQG-UHFFFAOYSA-N
XLogP2.48
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653828
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 79943101
2,2,2-trifluoro-1-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110658695
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
2-[4-(methoxymethyl)piperidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63972915
4-[2-[4-carbamoyl-1-[(2-fluorophenyl)methyl]-5-methylpyrrol-2-yl]-2-oxoethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 134083389
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110658667
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238
phenyl 4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxylate
CID 110658683
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63025041

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide (CID 110658659) is N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide is Cc1cc(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)c(C)n1C.
What is the InChIKey of N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is DDMAAMCTIDZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-13-18(16(2)22(15)3)19(25)14-23-9-11-24(12-10-23)20(26)21-17-7-5-4-6-8-17/h13,17H,4-12,14H2,1-3H3,(H,21,26).
What are the key properties of N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110658659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).