2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide

C20H36N4O2 — CID 55411006

IUPAC2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCN(CC(=O)NC3CC3)CC2)C1C
InChIInChI=1S/C20H36N4O2/c1-14-5-4-6-18(15(14)2)22-20(26)16(3)24-11-9-23(10-12-24)13-19(25)21-17-7-8-17/h14-18H,4-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyCOYFJILVAYYASI-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.21
Rot. Bonds6

About 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide (PubChem CID 55411006) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
PubChem CID55411006
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCN(CC(=O)NC3CC3)CC2)C1C
InChIInChI=1S/C20H36N4O2/c1-14-5-4-6-18(15(14)2)22-20(26)16(3)24-11-9-23(10-12-24)13-19(25)21-17-7-8-17/h14-18H,4-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyCOYFJILVAYYASI-UHFFFAOYSA-N
XLogP1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11933587
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11933591
(2R)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932124
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11931772
N-cyclopropyl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 127274229
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 78833853
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
(2R)-N-cyclohexyl-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30988484
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 95934647
(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide (CID 55411006) is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide is CC1CCCC(NC(=O)C(C)N2CCN(CC(=O)NC3CC3)CC2)C1C.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide?
The InChIKey is COYFJILVAYYASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-14-5-4-6-18(15(14)2)22-20(26)16(3)24-11-9-23(10-12-24)13-19(25)21-17-7-8-17/h14-18H,4-13H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide?
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide has a molecular weight of 364.53 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 55411006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).