[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C19H28ClN3O2 — CID 120632580

IUPAC[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCOc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14-11-15(5-6-21-14)19(24)23-9-7-22(8-10-23)13-16-12-17(20)3-4-18(16)25-2/h3-4,12,14-15,21H,5-11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyJFFHUPGVJMZCAM-GJZGRUSLSA-N
MW365.91 g/mol
LogP2.38
Rot. Bonds4

About [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120632580) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120632580
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCOc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14-11-15(5-6-21-14)19(24)23-9-7-22(8-10-23)13-16-12-17(20)3-4-18(16)25-2/h3-4,12,14-15,21H,5-11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyJFFHUPGVJMZCAM-GJZGRUSLSA-N
XLogP2.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

(3-aminocyclohexyl)-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119843700
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687589
(7S)-7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]azepan-2-one
CID 129402907
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 55588565
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120641411
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296
1-[2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55740316
1-(1,3-benzodioxol-5-yl)-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060493

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120632580) is [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is COc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1.
What is the InChIKey of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is JFFHUPGVJMZCAM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14-11-15(5-6-21-14)19(24)23-9-7-22(8-10-23)13-16-12-17(20)3-4-18(16)25-2/h3-4,12,14-15,21H,5-11,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 365.91 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120632580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).