4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

C24H42N4O2 — CID 45193025

IUPAC4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)CC1
InChIInChI=1S/C24H42N4O2/c1-25(2)23(30)27-14-9-21(10-15-27)22(29)28-16-12-24(19-28)11-6-13-26(18-24)17-20-7-4-3-5-8-20/h20-21H,3-19H2,1-2H3
InChIKeyKOKJLLFBFDTZGM-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.27
Rot. Bonds3

About 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 45193025) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID45193025
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Name4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)CC1
InChIInChI=1S/C24H42N4O2/c1-25(2)23(30)27-14-9-21(10-15-27)22(29)28-16-12-24(19-28)11-6-13-26(18-24)17-20-7-4-3-5-8-20/h20-21H,3-19H2,1-2H3
InChIKeyKOKJLLFBFDTZGM-UHFFFAOYSA-N
XLogP3.27
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (CID 45193025) is 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)CC1.
What is the InChIKey of 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is KOKJLLFBFDTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-25(2)23(30)27-14-9-21(10-15-27)22(29)28-16-12-24(19-28)11-6-13-26(18-24)17-20-7-4-3-5-8-20/h20-21H,3-19H2,1-2H3.
What are the key properties of 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 418.63 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 45193025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).