4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine

C21H36N4O — CID 70718319

IUPAC4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
SMILESc1nc(CC2CCCC2)[nH]c1CN1CCCCC1CCN1CCOCC1
InChIInChI=1S/C21H36N4O/c1-2-6-18(5-1)15-21-22-16-19(23-21)17-25-9-4-3-7-20(25)8-10-24-11-13-26-14-12-24/h16,18,20H,1-15,17H2,(H,22,23)
InChIKeyJJSFTDLBWPLLQR-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.22
Rot. Bonds7

About 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine

4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine (PubChem CID 70718319) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
PubChem CID70718319
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
SMILESc1nc(CC2CCCC2)[nH]c1CN1CCCCC1CCN1CCOCC1
InChIInChI=1S/C21H36N4O/c1-2-6-18(5-1)15-21-22-16-19(23-21)17-25-9-4-3-7-20(25)8-10-24-11-13-26-14-12-24/h16,18,20H,1-15,17H2,(H,22,23)
InChIKeyJJSFTDLBWPLLQR-UHFFFAOYSA-N
XLogP3.22
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
CID 71694279
7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396293
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 119109776
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
N-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 114216587
2-methyl-4-[2-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 121537123
(2R)-2-methyl-4-[2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733897
(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733898
(2S)-2-methyl-4-[2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733899

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine (CID 70718319) is 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine is c1nc(CC2CCCC2)[nH]c1CN1CCCCC1CCN1CCOCC1.
What is the InChIKey of 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine?
The InChIKey is JJSFTDLBWPLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-2-6-18(5-1)15-21-22-16-19(23-21)17-25-9-4-3-7-20(25)8-10-24-11-13-26-14-12-24/h16,18,20H,1-15,17H2,(H,22,23).
What are the key properties of 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine?
4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine has a molecular weight of 360.55 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine is sourced from PubChem (CID 70718319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).