N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide

C18H30N6O2 — CID 166616159

IUPACN-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCC(c3n[nH]c(C)n3)CC2)N1C
InChIInChI=1S/C18H30N6O2/c1-12-20-18(22-21-12)14-6-8-24(9-7-14)17(26)10-15-4-5-16(23(15)3)11-19-13(2)25/h14-16H,4-11H2,1-3H3,(H,19,25)(H,20,21,22)/t15-,16+/m0/s1
InChIKeyQKVZZYAFEQHXCY-JKSUJKDBSA-N
MW362.48 g/mol
LogP0.81
Rot. Bonds5

About N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide

N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 166616159) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID166616159
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCC(c3n[nH]c(C)n3)CC2)N1C
InChIInChI=1S/C18H30N6O2/c1-12-20-18(22-21-12)14-6-8-24(9-7-14)17(26)10-15-4-5-16(23(15)3)11-19-13(2)25/h14-16H,4-11H2,1-3H3,(H,19,25)(H,20,21,22)/t15-,16+/m0/s1
InChIKeyQKVZZYAFEQHXCY-JKSUJKDBSA-N
XLogP0.81
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R,5S)-1-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166619967
N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166614963
formic acid;N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 171709600
N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166623691
N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 171910622
2-(4-methylsulfonylphenyl)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772429
(1-hydroxycyclopentyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 111565424
(2S)-2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 97226355
N-[[(2R,5S)-5-[2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 170505723
N-(5-cyclopropyl-1,3-thiazol-2-yl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154868509
formic acid;N-[[(2R,5S)-5-[2-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 171710571
2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772022

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide (CID 166616159) is N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCC(c3n[nH]c(C)n3)CC2)N1C.
What is the InChIKey of N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is QKVZZYAFEQHXCY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-12-20-18(22-21-12)14-6-8-24(9-7-14)17(26)10-15-4-5-16(23(15)3)11-19-13(2)25/h14-16H,4-11H2,1-3H3,(H,19,25)(H,20,21,22)/t15-,16+/m0/s1.
What are the key properties of N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 166616159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).