[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone

C19H26ClN5O2 — CID 46987931

IUPAC[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1
InChIInChI=1S/C19H26ClN5O2/c1-19(2,21)17-12-25(23-22-17)11-13-6-8-24(9-7-13)18(26)15-5-4-14(20)10-16(15)27-3/h4-5,10,12-13H,6-9,11,21H2,1-3H3
InChIKeyFBRHCSLYFXGJHV-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.69
Rot. Bonds5

About [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone

[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone (PubChem CID 46987931) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
PubChem CID46987931
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1
InChIInChI=1S/C19H26ClN5O2/c1-19(2,21)17-12-25(23-22-17)11-13-6-8-24(9-7-13)18(26)15-5-4-14(20)10-16(15)27-3/h4-5,10,12-13H,6-9,11,21H2,1-3H3
InChIKeyFBRHCSLYFXGJHV-UHFFFAOYSA-N
XLogP2.69
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone with MolForge

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Related Compounds

[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 154887282
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979
2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid
CID 120515342
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
(2S,3S)-2-amino-1-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-3-methylpentan-1-one
CID 46999282
(5-chloro-2-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493407

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
The IUPAC name of [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone (CID 46987931) is [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone is COc1cc(Cl)ccc1C(=O)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1.
What is the InChIKey of [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
The InChIKey is FBRHCSLYFXGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2/c1-19(2,21)17-12-25(23-22-17)11-13-6-8-24(9-7-13)18(26)15-5-4-14(20)10-16(15)27-3/h4-5,10,12-13H,6-9,11,21H2,1-3H3.
What are the key properties of [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone?
[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone has a molecular weight of 391.90 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 46987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).