N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C19H27N5O — CID 71983912

IUPACN-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N(C)CCC3CCCCN3C)cc2)n[nH]1
InChIInChI=1S/C19H27N5O/c1-14-20-18(22-21-14)15-7-9-16(10-8-15)19(25)24(3)13-11-17-6-4-5-12-23(17)2/h7-10,17H,4-6,11-13H2,1-3H3,(H,20,21,22)
InChIKeyLPKRBWARPNUEFG-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 71983912) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID71983912
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N(C)CCC3CCCCN3C)cc2)n[nH]1
InChIInChI=1S/C19H27N5O/c1-14-20-18(22-21-14)15-7-9-16(10-8-15)19(25)24(3)13-11-17-6-4-5-12-23(17)2/h7-10,17H,4-6,11-13H2,1-3H3,(H,20,21,22)
InChIKeyLPKRBWARPNUEFG-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 131897537
3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
CID 119894091
N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95934736
N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 75535641
N-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(9-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl)benzamide;molecular hydrogen
CID 159330036
N-[(1S,2S)-2-[(R)-ethylsulfinyl]cyclohexyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 96785208
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide
CID 94813436
1-(2-fluorophenyl)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 126774336
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 71983912) is N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)N(C)CCC3CCCCN3C)cc2)n[nH]1.
What is the InChIKey of N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LPKRBWARPNUEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-20-18(22-21-14)15-7-9-16(10-8-15)19(25)24(3)13-11-17-6-4-5-12-23(17)2/h7-10,17H,4-6,11-13H2,1-3H3,(H,20,21,22).
What are the key properties of N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 71983912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).