1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C20H34N4O — CID 70741424

IUPAC1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1
InChIInChI=1S/C20H34N4O/c25-20(15-23-9-3-4-10-23)8-5-11-24(16-20)14-18-13-21-19(22-18)12-17-6-1-2-7-17/h13,17,25H,1-12,14-16H2,(H,21,22)
InChIKeyCUOIZHLVWXRCDT-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.57
Rot. Bonds6

About 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70741424) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70741424
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1
InChIInChI=1S/C20H34N4O/c25-20(15-23-9-3-4-10-23)8-5-11-24(16-20)14-18-13-21-19(22-18)12-17-6-1-2-7-17/h13,17,25H,1-12,14-16H2,(H,21,22)
InChIKeyCUOIZHLVWXRCDT-UHFFFAOYSA-N
XLogP2.57
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol with MolForge

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
(3R*,4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,4-dimethylpiperidin-4-ol
CID 70775672
(4S)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70741424) is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is OC1(CN2CCCC2)CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1.
What is the InChIKey of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is CUOIZHLVWXRCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c25-20(15-23-9-3-4-10-23)8-5-11-24(16-20)14-18-13-21-19(22-18)12-17-6-1-2-7-17/h13,17,25H,1-12,14-16H2,(H,21,22).
What are the key properties of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 346.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70741424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).