[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

C19H27N5O2 — CID 45220142

IUPAC[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCC(O)c1cn(CC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nn1
InChIInChI=1S/C19H27N5O2/c1-14(25)18-13-24(21-20-18)12-15-7-9-23(10-8-15)19(26)16-5-4-6-17(11-16)22(2)3/h4-6,11,13-15,25H,7-10,12H2,1-3H3
InChIKeyOZIXTURGPOZZFY-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.95
Rot. Bonds5

About [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 45220142) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID45220142
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCC(O)c1cn(CC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nn1
InChIInChI=1S/C19H27N5O2/c1-14(25)18-13-24(21-20-18)12-15-7-9-23(10-8-15)19(26)16-5-4-6-17(11-16)22(2)3/h4-6,11,13-15,25H,7-10,12H2,1-3H3
InChIKeyOZIXTURGPOZZFY-UHFFFAOYSA-N
XLogP1.95
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
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CID 130567336
3-[4-[[4-[(2S)-2-hydroxypropyl]triazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 30936232
3-[4-[[4-(2-hydroxypropyl)triazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 45195148
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 46997721

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (CID 45220142) is [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is CC(O)c1cn(CC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)nn1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is OZIXTURGPOZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(25)18-13-24(21-20-18)12-15-7-9-23(10-8-15)19(26)16-5-4-6-17(11-16)22(2)3/h4-6,11,13-15,25H,7-10,12H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 45220142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).