(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one

C22H32N4O — CID 97206870

IUPAC(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC(c2nccn2CCCN(C)C)CC1)c1ccccc1
InChIInChI=1S/C22H32N4O/c1-18(19-8-5-4-6-9-19)22(27)26-15-10-20(11-16-26)21-23-12-17-25(21)14-7-13-24(2)3/h4-6,8-9,12,17-18,20H,7,10-11,13-16H2,1-3H3/t18-/m1/s1
InChIKeyRDFGMVORCNDXTP-GOSISDBHSA-N
MW368.53 g/mol
LogP3.34
Rot. Bonds7

About (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one

(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 97206870) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID97206870
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC(c2nccn2CCCN(C)C)CC1)c1ccccc1
InChIInChI=1S/C22H32N4O/c1-18(19-8-5-4-6-9-19)22(27)26-15-10-20(11-16-26)21-23-12-17-25(21)14-7-13-24(2)3/h4-6,8-9,12,17-18,20H,7,10-11,13-16H2,1-3H3/t18-/m1/s1
InChIKeyRDFGMVORCNDXTP-GOSISDBHSA-N
XLogP3.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72837384
[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 97274758
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 72892075
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
1-[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97281969

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one (CID 97206870) is (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCC(c2nccn2CCCN(C)C)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is RDFGMVORCNDXTP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N4O/c1-18(19-8-5-4-6-9-19)22(27)26-15-10-20(11-16-26)21-23-12-17-25(21)14-7-13-24(2)3/h4-6,8-9,12,17-18,20H,7,10-11,13-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one?
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 368.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 97206870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).