(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one

C14H21ClN4O — CID 71766986

IUPAC(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
SMILESCN(C)C1CCN(C(=O)/C=C/c2ncc(Cl)n2C)CC1
InChIInChI=1S/C14H21ClN4O/c1-17(2)11-6-8-19(9-7-11)14(20)5-4-13-16-10-12(15)18(13)3/h4-5,10-11H,6-9H2,1-3H3/b5-4+
InChIKeyUQZSKRNYMOGLGP-SNAWJCMRSA-N
MW296.80 g/mol
LogP1.64
Rot. Bonds3

About (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one

(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one (PubChem CID 71766986) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
PubChem CID71766986
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
SMILESCN(C)C1CCN(C(=O)/C=C/c2ncc(Cl)n2C)CC1
InChIInChI=1S/C14H21ClN4O/c1-17(2)11-6-8-19(9-7-11)14(20)5-4-13-16-10-12(15)18(13)3/h4-5,10-11H,6-9H2,1-3H3/b5-4+
InChIKeyUQZSKRNYMOGLGP-SNAWJCMRSA-N
XLogP1.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
CID 75407554
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
(E)-3-[2-[(4-chlorophenoxy)methyl]-1-methylindol-3-yl]-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 21196002
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 134205519
3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
CID 163606063
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779450
(3,5-dichloro-4-methylphenyl)-[(4S)-4-(dimethylamino)azepan-1-yl]methanone
CID 95712034
3-(4-chlorophenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 809689
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
CID 155821051
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 56821641
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one (CID 71766986) is (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one is CN(C)C1CCN(C(=O)/C=C/c2ncc(Cl)n2C)CC1.
What is the InChIKey of (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is UQZSKRNYMOGLGP-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-17(2)11-6-8-19(9-7-11)14(20)5-4-13-16-10-12(15)18(13)3/h4-5,10-11H,6-9H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one?
(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 296.80 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).