[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone

C19H27Cl2N3O — CID 10249422

IUPAC[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
SMILESCCN1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H27Cl2N3O/c1-2-23-8-4-3-5-18(23)19(25)24-11-9-22(10-12-24)14-15-6-7-16(20)17(21)13-15/h6-7,13,18H,2-5,8-12,14H2,1H3/t18-/m0/s1
InChIKeyFKUPITCHSMIFDV-SFHVURJKSA-N
MW384.35 g/mol
LogP3.51
Rot. Bonds4

About [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone (PubChem CID 10249422) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
PubChem CID10249422
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
SMILESCCN1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H27Cl2N3O/c1-2-23-8-4-3-5-18(23)19(25)24-11-9-22(10-12-24)14-15-6-7-16(20)17(21)13-15/h6-7,13,18H,2-5,8-12,14H2,1H3/t18-/m0/s1
InChIKeyFKUPITCHSMIFDV-SFHVURJKSA-N
XLogP3.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone with MolForge

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Related Compounds

(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(4-benzoylpiperazin-1-yl)-[(2S)-1-ethylpiperidin-2-yl]methanone
CID 59105173
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 19478074
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19295103
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone
CID 134802654
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-methylazepan-2-yl)methanone
CID 70769121
[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97219721

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone (CID 10249422) is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone is CCN1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone?
The InChIKey is FKUPITCHSMIFDV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27Cl2N3O/c1-2-23-8-4-3-5-18(23)19(25)24-11-9-22(10-12-24)14-15-6-7-16(20)17(21)13-15/h6-7,13,18H,2-5,8-12,14H2,1H3/t18-/m0/s1.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone?
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone has a molecular weight of 384.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone is sourced from PubChem (CID 10249422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).