1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

C21H32N4O2 — CID 110611656

IUPAC1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCN(C)C(C(=O)N1CCN(C(=O)CCN2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N4O2/c1-22(2)20(18-8-4-3-5-9-18)21(27)25-16-14-24(15-17-25)19(26)10-13-23-11-6-7-12-23/h3-5,8-9,20H,6-7,10-17H2,1-2H3
InChIKeyDDWURCNMKBMQHB-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.45
Rot. Bonds6

About 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 110611656) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
PubChem CID110611656
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCN(C)C(C(=O)N1CCN(C(=O)CCN2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N4O2/c1-22(2)20(18-8-4-3-5-9-18)21(27)25-16-14-24(15-17-25)19(26)10-13-23-11-6-7-12-23/h3-5,8-9,20H,6-7,10-17H2,1-2H3
InChIKeyDDWURCNMKBMQHB-UHFFFAOYSA-N
XLogP1.45
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110608314
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
3-methyl-2-(4-methylphenyl)-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]butan-1-one
CID 110619825
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
3-(2-fluorophenyl)-2-methyl-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617982
(2R)-2-(dimethylamino)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 97200788
2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]ethanone
CID 72839193
N-methyl-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 133161882
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666244
1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 67146117

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 110611656) is 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is CN(C)C(C(=O)N1CCN(C(=O)CCN2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DDWURCNMKBMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-22(2)20(18-8-4-3-5-9-18)21(27)25-16-14-24(15-17-25)19(26)10-13-23-11-6-7-12-23/h3-5,8-9,20H,6-7,10-17H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 372.51 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 110611656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).