[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C20H30N6O2 — CID 139013123

IUPAC[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(O)c3nccn3C)CC2)nnn1CC1CCCC1
InChIInChI=1S/C20H30N6O2/c1-14-17(22-23-26(14)13-15-5-3-4-6-15)20(28)25-10-7-16(8-11-25)18(27)19-21-9-12-24(19)2/h9,12,15-16,18,27H,3-8,10-11,13H2,1-2H3
InChIKeyAUCKPDSIIADWPV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.10
Rot. Bonds5

About [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 139013123) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID139013123
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(O)c3nccn3C)CC2)nnn1CC1CCCC1
InChIInChI=1S/C20H30N6O2/c1-14-17(22-23-26(14)13-15-5-3-4-6-15)20(28)25-10-7-16(8-11-25)18(27)19-21-9-12-24(19)2/h9,12,15-16,18,27H,3-8,10-11,13H2,1-2H3
InChIKeyAUCKPDSIIADWPV-UHFFFAOYSA-N
XLogP2.10
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone
CID 119050387
1-(cyclopentylmethyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid
CID 103116057
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 125156741
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 166315554
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 99932538
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
(5-chloro-3-pyridinyl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 124754310
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 139013123) is [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(C(O)c3nccn3C)CC2)nnn1CC1CCCC1.
What is the InChIKey of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is AUCKPDSIIADWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-14-17(22-23-26(14)13-15-5-3-4-6-15)20(28)25-10-7-16(8-11-25)18(27)19-21-9-12-24(19)2/h9,12,15-16,18,27H,3-8,10-11,13H2,1-2H3.
What are the key properties of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 139013123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).