cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide

C23H36N2O2 — CID 128713974

IUPACcis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
SMILESO=C(NC1CCC2(CC1)CC2)[C@@H]1CC[C@H](C(=O)NC2CCC3(CC2)CC3)C1
InChIInChI=1S/C23H36N2O2/c26-20(24-18-3-7-22(8-4-18)11-12-22)16-1-2-17(15-16)21(27)25-19-5-9-23(10-6-19)13-14-23/h16-19H,1-15H2,(H,24,26)(H,25,27)/t16-,17+
InChIKeyVRAWERRLFNUNEW-CALCHBBNSA-N
MW372.55 g/mol
LogP4.08
Rot. Bonds4

About cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide

cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide (PubChem CID 128713974) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
PubChem CID128713974
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Namecis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide
SMILESO=C(NC1CCC2(CC1)CC2)[C@@H]1CC[C@H](C(=O)NC2CCC3(CC2)CC3)C1
InChIInChI=1S/C23H36N2O2/c26-20(24-18-3-7-22(8-4-18)11-12-22)16-1-2-17(15-16)21(27)25-19-5-9-23(10-6-19)13-14-23/h16-19H,1-15H2,(H,24,26)(H,25,27)/t16-,17+
InChIKeyVRAWERRLFNUNEW-CALCHBBNSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide with MolForge

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Related Compounds

3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 140576236
3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551110
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide?
The IUPAC name of cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide (CID 128713974) is cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide?
The canonical SMILES for cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide is O=C(NC1CCC2(CC1)CC2)[C@@H]1CC[C@H](C(=O)NC2CCC3(CC2)CC3)C1.
What is the InChIKey of cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide?
The InChIKey is VRAWERRLFNUNEW-CALCHBBNSA-N. The full InChI is InChI=1S/C23H36N2O2/c26-20(24-18-3-7-22(8-4-18)11-12-22)16-1-2-17(15-16)21(27)25-19-5-9-23(10-6-19)13-14-23/h16-19H,1-15H2,(H,24,26)(H,25,27)/t16-,17+.
What are the key properties of cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide?
cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide has a molecular weight of 372.55 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-N,3-N-di(spiro[2.5]octan-6-yl)cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 128713974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).