N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide

C17H32N6O2 — CID 125448369

IUPACN-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC(c2nnc(CO)n2C)CC1)N(C)CC
InChIInChI=1S/C17H32N6O2/c1-5-14(21(3)6-2)11-18-17(25)23-9-7-13(8-10-23)16-20-19-15(12-24)22(16)4/h13-14,24H,5-12H2,1-4H3,(H,18,25)/t14-/m1/s1
InChIKeyFHYOBFNXJYLIDP-CQSZACIVSA-N
MW352.48 g/mol
LogP0.93
Rot. Bonds7

About N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide

N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 125448369) has the molecular formula C17H32N6O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID125448369
Molecular FormulaC17H32N6O2
Molecular Weight352.48 g/mol
Exact Mass352.26
IUPAC NameN-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC(c2nnc(CO)n2C)CC1)N(C)CC
InChIInChI=1S/C17H32N6O2/c1-5-14(21(3)6-2)11-18-17(25)23-9-7-13(8-10-23)16-20-19-15(12-24)22(16)4/h13-14,24H,5-12H2,1-4H3,(H,18,25)/t14-/m1/s1
InChIKeyFHYOBFNXJYLIDP-CQSZACIVSA-N
XLogP0.93
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-1-oxopentan-2-yl]acetamide
CID 90652202
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70788572
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
CID 75507628
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 72857711
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 70753601
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
CID 91776521
cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70765363
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 70736537
1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 118780074
[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 70782381
1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 70777917

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 125448369) is N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide is CC[C@H](CNC(=O)N1CCC(c2nnc(CO)n2C)CC1)N(C)CC.
What is the InChIKey of N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is FHYOBFNXJYLIDP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H32N6O2/c1-5-14(21(3)6-2)11-18-17(25)23-9-7-13(8-10-23)16-20-19-15(12-24)22(16)4/h13-14,24H,5-12H2,1-4H3,(H,18,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[ethyl(methyl)amino]butyl]-4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 125448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).