6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C29H37N3O2 — CID 45214381

IUPAC6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CC12CCN(C(=O)C1(c3ccccc3)CCCCC1)CC2
InChIInChI=1S/C29H37N3O2/c33-26(31-17-7-8-23-11-18-30-19-12-23)25-22-28(25)15-20-32(21-16-28)27(34)29(13-5-2-6-14-29)24-9-3-1-4-10-24/h1,3-4,9-12,18-19,25H,2,5-8,13-17,20-22H2,(H,31,33)
InChIKeyHPPGJCKFTRENLH-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.66
Rot. Bonds7

About 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45214381) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45214381
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CC12CCN(C(=O)C1(c3ccccc3)CCCCC1)CC2
InChIInChI=1S/C29H37N3O2/c33-26(31-17-7-8-23-11-18-30-19-12-23)25-22-28(25)15-20-32(21-16-28)27(34)29(13-5-2-6-14-29)24-9-3-1-4-10-24/h1,3-4,9-12,18-19,25H,2,5-8,13-17,20-22H2,(H,31,33)
InChIKeyHPPGJCKFTRENLH-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42272774
6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463337
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930
(2S)-N-(3-pyridin-4-ylpropyl)-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429855
N-(3-pyridin-4-ylpropyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465408
(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918
(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42166274
(2S)-6-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42471005
6-[[4-(2-methylphenyl)phenyl]methyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45199739
6-(3-prop-2-enoxybenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45182350
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45214381) is 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCc1ccncc1)C1CC12CCN(C(=O)C1(c3ccccc3)CCCCC1)CC2.
What is the InChIKey of 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is HPPGJCKFTRENLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c33-26(31-17-7-8-23-11-18-30-19-12-23)25-22-28(25)15-20-32(21-16-28)27(34)29(13-5-2-6-14-29)24-9-3-1-4-10-24/h1,3-4,9-12,18-19,25H,2,5-8,13-17,20-22H2,(H,31,33).
What are the key properties of 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45214381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).