[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone

C27H35N3O2 — CID 134805222

IUPAC[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)N2CC(CNc3ccccc3)C3(C2)CN(c2ccccc2)C3)CC1
InChIInChI=1S/C27H35N3O2/c1-32-25-14-12-21(13-15-25)26(31)29-17-22(16-28-23-8-4-2-5-9-23)27(18-29)19-30(20-27)24-10-6-3-7-11-24/h2-11,21-22,25,28H,12-20H2,1H3
InChIKeyPTTUOBXVHLNFTI-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.27
Rot. Bonds6

About [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone

[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone (PubChem CID 134805222) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone
PubChem CID134805222
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)N2CC(CNc3ccccc3)C3(C2)CN(c2ccccc2)C3)CC1
InChIInChI=1S/C27H35N3O2/c1-32-25-14-12-21(13-15-25)26(31)29-17-22(16-28-23-8-4-2-5-9-23)27(18-29)19-30(20-27)24-10-6-3-7-11-24/h2-11,21-22,25,28H,12-20H2,1H3
InChIKeyPTTUOBXVHLNFTI-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone with MolForge

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Related Compounds

4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
1-[4-(3-methoxyazetidin-1-yl)phenyl]-3-phenylurea
CID 91814617
oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 154802644
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
1-[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-2-pyridin-2-ylethanone
CID 134806631
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
CID 70342538
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
3-anilino-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 51122405

Frequently Asked Questions

What is the IUPAC name of [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone?
The IUPAC name of [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone (CID 134805222) is [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone?
The canonical SMILES for [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone is COC1CCC(C(=O)N2CC(CNc3ccccc3)C3(C2)CN(c2ccccc2)C3)CC1.
What is the InChIKey of [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone?
The InChIKey is PTTUOBXVHLNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-32-25-14-12-21(13-15-25)26(31)29-17-22(16-28-23-8-4-2-5-9-23)27(18-29)19-30(20-27)24-10-6-3-7-11-24/h2-11,21-22,25,28H,12-20H2,1H3.
What are the key properties of [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone?
[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone has a molecular weight of 433.60 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 134805222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).