1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one

C16H28N4O2 — CID 122582722

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
SMILESCOCCn1ccnc1CCC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C16H28N4O2/c1-18(2)14-5-4-9-20(13-14)16(21)7-6-15-17-8-10-19(15)11-12-22-3/h8,10,14H,4-7,9,11-13H2,1-3H3
InChIKeyZNNINOQNUXCGDD-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.01
Rot. Bonds7

About 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one

1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one (PubChem CID 122582722) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
PubChem CID122582722
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
SMILESCOCCn1ccnc1CCC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C16H28N4O2/c1-18(2)14-5-4-9-20(13-14)16(21)7-6-15-17-8-10-19(15)11-12-22-3/h8,10,14H,4-7,9,11-13H2,1-3H3
InChIKeyZNNINOQNUXCGDD-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452454
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
CID 134220583
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
CID 134220611
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 134205519
1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
CID 141438299
butyl 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452464
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
CID 172727257
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
1-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]-3-methylpentan-2-one
CID 155065962

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one (CID 122582722) is 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one is COCCn1ccnc1CCC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one?
The InChIKey is ZNNINOQNUXCGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-18(2)14-5-4-9-20(13-14)16(21)7-6-15-17-8-10-19(15)11-12-22-3/h8,10,14H,4-7,9,11-13H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one?
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one is sourced from PubChem (CID 122582722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).