N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H28N4O4 — CID 166190253

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H28N4O4/c1-18(2)14-25-13-11-22(18)6-5-19-17(24)21-9-7-20(8-10-21)16(23)15-4-3-12-26-15/h3-4,12H,5-11,13-14H2,1-2H3,(H,19,24)
InChIKeyADZDQCHSJWBKSS-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.86
Rot. Bonds4

About N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 166190253) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID166190253
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H28N4O4/c1-18(2)14-25-13-11-22(18)6-5-19-17(24)21-9-7-20(8-10-21)16(23)15-4-3-12-26-15/h3-4,12H,5-11,13-14H2,1-2H3,(H,19,24)
InChIKeyADZDQCHSJWBKSS-UHFFFAOYSA-N
XLogP0.86
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]urea
CID 166190211
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 48964145
N-[(3-chloro-2-methylphenyl)methyl]-4-(furan-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 122563335
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 120612959
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 166190253) is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is CC1(C)COCCN1CCNC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is ADZDQCHSJWBKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-18(2)14-25-13-11-22(18)6-5-19-17(24)21-9-7-20(8-10-21)16(23)15-4-3-12-26-15/h3-4,12H,5-11,13-14H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 166190253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).