N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide

C13H22N4O2 — CID 154767131

IUPACN-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(CCCO)nn1
InChIInChI=1S/C13H22N4O2/c1-10(19)14-13-6-2-4-11(13)8-17-9-12(15-16-17)5-3-7-18/h9,11,13,18H,2-8H2,1H3,(H,14,19)/t11-,13-/m1/s1
InChIKeySWCXLGXZOURWPQ-DGCLKSJQSA-N
MW266.34 g/mol
LogP0.51
Rot. Bonds6

About N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide

N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide (PubChem CID 154767131) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide
PubChem CID154767131
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(CCCO)nn1
InChIInChI=1S/C13H22N4O2/c1-10(19)14-13-6-2-4-11(13)8-17-9-12(15-16-17)5-3-7-18/h9,11,13,18H,2-8H2,1H3,(H,14,19)/t11-,13-/m1/s1
InChIKeySWCXLGXZOURWPQ-DGCLKSJQSA-N
XLogP0.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide
CID 154767142
N-(2-ethylcyclopentyl)acetamide
CID 130891213
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
CID 103412240
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1,2-dihydroxy-3-[4-(3-hydroxypropyl)triazol-1-yl]propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 52947230
5-[1-(2-bicyclo[2.2.1]heptanylmethyl)triazol-4-yl]pentanoic acid
CID 104538834
3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
CID 122187945
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62400586
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
4-(2-bromoethyl)-1-(cyclobutylmethyl)triazole
CID 65461455

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide (CID 154767131) is N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide is CC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(CCCO)nn1.
What is the InChIKey of N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide?
The InChIKey is SWCXLGXZOURWPQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(19)14-13-6-2-4-11(13)8-17-9-12(15-16-17)5-3-7-18/h9,11,13,18H,2-8H2,1H3,(H,14,19)/t11-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide?
N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[4-(3-hydroxypropyl)triazol-1-yl]methyl]cyclopentyl]acetamide is sourced from PubChem (CID 154767131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).