N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

C18H32N4O3 — CID 86916127

IUPACN-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H32N4O3/c1-15-2-4-16(5-3-15)19-18(24)22-8-6-21(7-9-22)17(23)14-20-10-12-25-13-11-20/h15-16H,2-14H2,1H3,(H,19,24)
InChIKeyGMLDYGXRKDGTGF-UHFFFAOYSA-N
MW352.48 g/mol
LogP0.75
Rot. Bonds3

About N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide (PubChem CID 86916127) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
PubChem CID86916127
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H32N4O3/c1-15-2-4-16(5-3-15)19-18(24)22-8-6-21(7-9-22)17(23)14-20-10-12-25-13-11-20/h15-16H,2-14H2,1H3,(H,19,24)
InChIKeyGMLDYGXRKDGTGF-UHFFFAOYSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
N-methyl-N-(4-methylcyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55409131
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
CID 146087642
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
4-methyl-N-(4-propylcyclohexyl)piperidine-1-carboxamide
CID 115590990

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide (CID 86916127) is N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide is CC1CCC(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
The InChIKey is GMLDYGXRKDGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-15-2-4-16(5-3-15)19-18(24)22-8-6-21(7-9-22)17(23)14-20-10-12-25-13-11-20/h15-16H,2-14H2,1H3,(H,19,24).
What are the key properties of N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide?
N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 86916127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).