[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate

C17H28N4O3 — CID 134316799

IUPAC[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate
SMILESCCn1ccnc1C(CC(=O)N1CCC[C@@H](N(C)C)C1)OC(C)=O
InChIInChI=1S/C17H28N4O3/c1-5-20-10-8-18-17(20)15(24-13(2)22)11-16(23)21-9-6-7-14(12-21)19(3)4/h8,10,14-15H,5-7,9,11-12H2,1-4H3/t14-,15?/m1/s1
InChIKeyBXZJJRMZPAVRSO-GICMACPYSA-N
MW336.44 g/mol
LogP1.45
Rot. Bonds6

About [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate

[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate (PubChem CID 134316799) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate.

Molecular Properties

Compound Name[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate
PubChem CID134316799
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate
SMILESCCn1ccnc1C(CC(=O)N1CCC[C@@H](N(C)C)C1)OC(C)=O
InChIInChI=1S/C17H28N4O3/c1-5-20-10-8-18-17(20)15(24-13(2)22)11-16(23)21-9-6-7-14(12-21)19(3)4/h8,10,14-15H,5-7,9,11-12H2,1-4H3/t14-,15?/m1/s1
InChIKeyBXZJJRMZPAVRSO-GICMACPYSA-N
XLogP1.45
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452454
3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 97150525
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
CID 141438299
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
1-[3-(dimethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadecan-1-one
CID 21298064
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate?
The IUPAC name of [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate (CID 134316799) is [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate.
What is the SMILES notation for [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate?
The canonical SMILES for [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate is CCn1ccnc1C(CC(=O)N1CCC[C@@H](N(C)C)C1)OC(C)=O.
What is the InChIKey of [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate?
The InChIKey is BXZJJRMZPAVRSO-GICMACPYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-20-10-8-18-17(20)15(24-13(2)22)11-16(23)21-9-6-7-14(12-21)19(3)4/h8,10,14-15H,5-7,9,11-12H2,1-4H3/t14-,15?/m1/s1.
What are the key properties of [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate?
[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate has a molecular weight of 336.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate is sourced from PubChem (CID 134316799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).