2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone

C20H27ClN2O3 — CID 154881198

IUPAC2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCCC3(CCN(C(=O)CCl)C3)C2)cc1
InChIInChI=1S/C20H27ClN2O3/c1-15(2)26-17-6-4-16(5-7-17)19(25)23-10-3-8-20(14-23)9-11-22(13-20)18(24)12-21/h4-7,15H,3,8-14H2,1-2H3
InChIKeyRCANCRGRVZZUKU-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.17
Rot. Bonds4

About 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone

2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 154881198) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID154881198
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCCC3(CCN(C(=O)CCl)C3)C2)cc1
InChIInChI=1S/C20H27ClN2O3/c1-15(2)26-17-6-4-16(5-7-17)19(25)23-10-3-8-20(14-23)9-11-22(13-20)18(24)12-21/h4-7,15H,3,8-14H2,1-2H3
InChIKeyRCANCRGRVZZUKU-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

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Related Compounds

(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
CID 131909207
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
CID 63158833
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone (CID 154881198) is 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCCC3(CCN(C(=O)CCl)C3)C2)cc1.
What is the InChIKey of 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is RCANCRGRVZZUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-15(2)26-17-6-4-16(5-7-17)19(25)23-10-3-8-20(14-23)9-11-22(13-20)18(24)12-21/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone?
2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 378.90 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 154881198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).