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N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide

C27H43N3O3 — CID 153420716

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
SMILESCC1(C(=O)N2CCN(C(=O)C3CCC(C4CCCC(NC(=O)C5CC5)C4)CC3)CC2)CCC1
InChIInChI=1S/C27H43N3O3/c1-27(12-3-13-27)26(33)30-16-14-29(15-17-30)25(32)21-10-6-19(7-11-21)22-4-2-5-23(18-22)28-24(31)20-8-9-20/h19-23H,2-18H2,1H3,(H,28,31)
InChIKeyUKEKVAOFHZJMBO-UHFFFAOYSA-N
MW457.66 g/mol
LogP3.74
Rot. Bonds5

About N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide

N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 153420716) has the molecular formula C27H43N3O3 and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID153420716
Molecular FormulaC27H43N3O3
Molecular Weight457.66 g/mol
Exact Mass457.33
IUPAC NameN-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide
SMILESCC1(C(=O)N2CCN(C(=O)C3CCC(C4CCCC(NC(=O)C5CC5)C4)CC3)CC2)CCC1
InChIInChI=1S/C27H43N3O3/c1-27(12-3-13-27)26(33)30-16-14-29(15-17-30)25(32)21-10-6-19(7-11-21)22-4-2-5-23(18-22)28-24(31)20-8-9-20/h19-23H,2-18H2,1H3,(H,28,31)
InChIKeyUKEKVAOFHZJMBO-UHFFFAOYSA-N
XLogP3.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide (CID 153420716) is N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide is CC1(C(=O)N2CCN(C(=O)C3CCC(C4CCCC(NC(=O)C5CC5)C4)CC3)CC2)CCC1.
What is the InChIKey of N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is UKEKVAOFHZJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O3/c1-27(12-3-13-27)26(33)30-16-14-29(15-17-30)25(32)21-10-6-19(7-11-21)22-4-2-5-23(18-22)28-24(31)20-8-9-20/h19-23H,2-18H2,1H3,(H,28,31).
What are the key properties of N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide?
N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 457.66 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(1-methylcyclobutanecarbonyl)piperazine-1-carbonyl]cyclohexyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 153420716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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