[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

C17H23N5O2 — CID 96500738

IUPAC[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)ccc21
InChIInChI=1S/C17H23N5O2/c1-20-14-6-5-12(11-13(14)18-19-20)17(24)22-9-7-21(8-10-22)15-3-2-4-16(15)23/h5-6,11,15-16,23H,2-4,7-10H2,1H3/t15-,16-/m1/s1
InChIKeyYMZHOFNBXDFZSM-HZPDHXFCSA-N
MW329.40 g/mol
LogP0.64
Rot. Bonds2

About [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone

[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone (PubChem CID 96500738) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
PubChem CID96500738
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
SMILESCn1nnc2cc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)ccc21
InChIInChI=1S/C17H23N5O2/c1-20-14-6-5-12(11-13(14)18-19-20)17(24)22-9-7-21(8-10-22)15-3-2-4-16(15)23/h5-6,11,15-16,23H,2-4,7-10H2,1H3/t15-,16-/m1/s1
InChIKeyYMZHOFNBXDFZSM-HZPDHXFCSA-N
XLogP0.64
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone with MolForge

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Related Compounds

(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
CID 128716633
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
CID 136532075
N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 136516099
(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 56754610
(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 97010440
N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932851

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The IUPAC name of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone (CID 96500738) is [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone.
What is the SMILES notation for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The canonical SMILES for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone is Cn1nnc2cc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)ccc21.
What is the InChIKey of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
The InChIKey is YMZHOFNBXDFZSM-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-14-6-5-12(11-13(14)18-19-20)17(24)22-9-7-21(8-10-22)15-3-2-4-16(15)23/h5-6,11,15-16,23H,2-4,7-10H2,1H3/t15-,16-/m1/s1.
What are the key properties of [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone?
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 96500738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).