[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone

C20H29ClN4O — CID 95863111

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESCN1CC2(CCNCC2)C[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN4O/c1-23-15-20(6-8-22-9-7-20)14-18(23)19(26)25-12-10-24(11-13-25)17-5-3-2-4-16(17)21/h2-5,18,22H,6-15H2,1H3/t18-/m0/s1
InChIKeyQTRDLABMPSPUKW-SFHVURJKSA-N
MW376.93 g/mol
LogP2.06
Rot. Bonds2

About [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone (PubChem CID 95863111) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone
PubChem CID95863111
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESCN1CC2(CCNCC2)C[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN4O/c1-23-15-20(6-8-22-9-7-20)14-18(23)19(26)25-12-10-24(11-13-25)17-5-3-2-4-16(17)21/h2-5,18,22H,6-15H2,1H3/t18-/m0/s1
InChIKeyQTRDLABMPSPUKW-SFHVURJKSA-N
XLogP2.06
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone with MolForge

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Related Compounds

[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154894652
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129377317
[4-(2-chlorophenyl)piperazin-1-yl]-spiro[cyclopropane-2,9'-fluorene]-1-ylmethanone
CID 44757897
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
1-(2-chlorophenyl)piperazine
CID 162116490
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-3-yl)methanone;dihydrochloride
CID 154894199
(3R)-N,2-dimethyl-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874258
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone (CID 95863111) is [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone is CN1CC2(CCNCC2)C[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone?
The InChIKey is QTRDLABMPSPUKW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-23-15-20(6-8-22-9-7-20)14-18(23)19(26)25-12-10-24(11-13-25)17-5-3-2-4-16(17)21/h2-5,18,22H,6-15H2,1H3/t18-/m0/s1.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone has a molecular weight of 376.93 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 95863111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).