[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone

C19H27N5O — CID 138993124

IUPAC[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)23(3)13-15-9-11-24(12-10-15)19(25)18-17(20-22-21-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,20,21,22)
InChIKeyUYNGYSSCLUFSIY-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.66
Rot. Bonds5

About [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone

[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone (PubChem CID 138993124) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
PubChem CID138993124
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)23(3)13-15-9-11-24(12-10-15)19(25)18-17(20-22-21-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,20,21,22)
InChIKeyUYNGYSSCLUFSIY-UHFFFAOYSA-N
XLogP2.66
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone with MolForge

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Related Compounds

1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea
CID 166254505
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60954454
3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropanoic acid
CID 62229912
(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61075607
3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 56820100
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
methyl 4-fluoro-1-(5-phenyl-2H-triazole-4-carbonyl)piperidine-4-carboxylate
CID 166293384
[(3S,4S)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627112
[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627109
(4-benzhydrylpiperazin-1-yl)-[5-(4-fluorophenyl)-2H-triazol-4-yl]methanone
CID 131701861

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
The IUPAC name of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone (CID 138993124) is [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
The canonical SMILES for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone is CC(C)N(C)CC1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
The InChIKey is UYNGYSSCLUFSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)23(3)13-15-9-11-24(12-10-15)19(25)18-17(20-22-21-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,20,21,22).
What are the key properties of [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone?
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 138993124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).