[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone

C21H24ClN3O — CID 134078846

IUPAC[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC2(CCCN2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C21H24ClN3O/c22-19-5-1-4-17(14-19)15-25-13-3-9-21(25)8-2-12-24(16-21)20(26)18-6-10-23-11-7-18/h1,4-7,10-11,14H,2-3,8-9,12-13,15-16H2
InChIKeyRLCGVKZBEOYTSB-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.01
Rot. Bonds3

About [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone

[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone (PubChem CID 134078846) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone
PubChem CID134078846
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC2(CCCN2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C21H24ClN3O/c22-19-5-1-4-17(14-19)15-25-13-3-9-21(25)8-2-12-24(16-21)20(26)18-6-10-23-11-7-18/h1,4-7,10-11,14H,2-3,8-9,12-13,15-16H2
InChIKeyRLCGVKZBEOYTSB-UHFFFAOYSA-N
XLogP4.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97393075
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 3561585
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118742677
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 118742676
(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125011653
N-[1-[1-[(3-chlorophenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413351
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone (CID 134078846) is [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC2(CCCN2Cc2cccc(Cl)c2)C1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone?
The InChIKey is RLCGVKZBEOYTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-19-5-1-4-17(14-19)15-25-13-3-9-21(25)8-2-12-24(16-21)20(26)18-6-10-23-11-7-18/h1,4-7,10-11,14H,2-3,8-9,12-13,15-16H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone?
[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone has a molecular weight of 369.90 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134078846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).