N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide

C19H30N2O3 — CID 136531455

IUPACN-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)C2CC23CCOC3)CC1
InChIInChI=1S/C19H30N2O3/c22-17(20-15-4-2-1-3-5-15)14-6-9-21(10-7-14)18(23)16-12-19(16)8-11-24-13-19/h14-16H,1-13H2,(H,20,22)
InChIKeyDNVLDJNTWIKDNG-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.10
Rot. Bonds3

About N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide

N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 136531455) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide
PubChem CID136531455
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)C2CC23CCOC3)CC1
InChIInChI=1S/C19H30N2O3/c22-17(20-15-4-2-1-3-5-15)14-6-9-21(10-7-14)18(23)16-12-19(16)8-11-24-13-19/h14-16H,1-13H2,(H,20,22)
InChIKeyDNVLDJNTWIKDNG-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
N-cyclopropyl-1-[6-(2-methylbutan-2-yl)spiro[2.5]octane-2-carbonyl]piperidine-4-carboxamide
CID 167754862
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone
CID 127874845
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
N-cyclobutyl-5-(3-hydroxycyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682925

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide (CID 136531455) is N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(C(=O)C2CC23CCOC3)CC1.
What is the InChIKey of N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is DNVLDJNTWIKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c22-17(20-15-4-2-1-3-5-15)14-6-9-21(10-7-14)18(23)16-12-19(16)8-11-24-13-19/h14-16H,1-13H2,(H,20,22).
What are the key properties of N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide?
N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 136531455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).