N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C20H30N4O4 — CID 27155073

IUPACN-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H30N4O4/c1-14-5-3-6-16(15(14)2)21-20(27)22-18(25)13-23-8-10-24(11-9-23)19(26)17-7-4-12-28-17/h4,7,12,14-16H,3,5-6,8-11,13H2,1-2H3,(H2,21,22,25,27)/t14-,15-,16-/m1/s1
InChIKeyOIGLAHQFPSILGD-BZUAXINKSA-N
MW390.48 g/mol
LogP1.69
Rot. Bonds4

About N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 27155073) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID27155073
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H30N4O4/c1-14-5-3-6-16(15(14)2)21-20(27)22-18(25)13-23-8-10-24(11-9-23)19(26)17-7-4-12-28-17/h4,7,12,14-16H,3,5-6,8-11,13H2,1-2H3,(H2,21,22,25,27)/t14-,15-,16-/m1/s1
InChIKeyOIGLAHQFPSILGD-BZUAXINKSA-N
XLogP1.69
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2410575
N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
CID 11916086
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 27155073) is N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is OIGLAHQFPSILGD-BZUAXINKSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-14-5-3-6-16(15(14)2)21-20(27)22-18(25)13-23-8-10-24(11-9-23)19(26)17-7-4-12-28-17/h4,7,12,14-16H,3,5-6,8-11,13H2,1-2H3,(H2,21,22,25,27)/t14-,15-,16-/m1/s1.
What are the key properties of N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27155073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).