1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

C16H28N4O2 — CID 97150525

IUPAC1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)CN(C)CCOC)C1
InChIInChI=1S/C16H28N4O2/c1-4-19-9-7-17-16(19)14-6-5-8-20(12-14)15(21)13-18(2)10-11-22-3/h7,9,14H,4-6,8,10-13H2,1-3H3/t14-/m0/s1
InChIKeyUHFRBVMVCFQEFE-AWEZNQCLSA-N
MW308.43 g/mol
LogP1.19
Rot. Bonds7

About 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone (PubChem CID 97150525) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
PubChem CID97150525
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)CN(C)CCOC)C1
InChIInChI=1S/C16H28N4O2/c1-4-19-9-7-17-16(19)14-6-5-8-20(12-14)15(21)13-18(2)10-11-22-3/h7,9,14H,4-6,8,10-13H2,1-3H3/t14-/m0/s1
InChIKeyUHFRBVMVCFQEFE-AWEZNQCLSA-N
XLogP1.19
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72902331
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 97275304
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97271823

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The IUPAC name of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone (CID 97150525) is 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The canonical SMILES for 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone is CCn1ccnc1[C@H]1CCCN(C(=O)CN(C)CCOC)C1.
What is the InChIKey of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The InChIKey is UHFRBVMVCFQEFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-19-9-7-17-16(19)14-6-5-8-20(12-14)15(21)13-18(2)10-11-22-3/h7,9,14H,4-6,8,10-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone has a molecular weight of 308.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 97150525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).