1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone

C24H41N3O2 — CID 25457112

IUPAC1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1
InChIInChI=1S/C24H41N3O2/c1-20(28)26-15-9-22(10-16-26)23(29)27-17-12-24(19-27)11-5-13-25(18-24)14-8-21-6-3-2-4-7-21/h21-22H,2-19H2,1H3/t24-/m1/s1
InChIKeyUJQCWYGHRSOCJR-XMMPIXPASA-N
MW403.61 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone

1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone (PubChem CID 25457112) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone
PubChem CID25457112
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1
InChIInChI=1S/C24H41N3O2/c1-20(28)26-15-9-22(10-16-26)23(29)27-17-12-24(19-27)11-5-13-25(18-24)14-8-21-6-3-2-4-7-21/h21-22H,2-19H2,1H3/t24-/m1/s1
InChIKeyUJQCWYGHRSOCJR-XMMPIXPASA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone (CID 25457112) is 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1.
What is the InChIKey of 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is UJQCWYGHRSOCJR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H41N3O2/c1-20(28)26-15-9-22(10-16-26)23(29)27-17-12-24(19-27)11-5-13-25(18-24)14-8-21-6-3-2-4-7-21/h21-22H,2-19H2,1H3/t24-/m1/s1.
What are the key properties of 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 403.61 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25457112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).