2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

C21H29N5O2 — CID 97276868

IUPAC2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCN(C)c1ccc(CCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1
InChIInChI=1S/C21H29N5O2/c1-24(2)18-8-5-16(6-9-18)7-10-20(28)25-12-3-4-17(14-25)21-23-11-13-26(21)15-19(22)27/h5-6,8-9,11,13,17H,3-4,7,10,12,14-15H2,1-2H3,(H2,22,27)/t17-/m0/s1
InChIKeyHWEIDWBLZOGTRI-KRWDZBQOSA-N
MW383.50 g/mol
LogP1.77
Rot. Bonds7

About 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97276868) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97276868
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCN(C)c1ccc(CCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1
InChIInChI=1S/C21H29N5O2/c1-24(2)18-8-5-16(6-9-18)7-10-20(28)25-12-3-4-17(14-25)21-23-11-13-26(21)15-19(22)27/h5-6,8-9,11,13,17H,3-4,7,10,12,14-15H2,1-2H3,(H2,22,27)/t17-/m0/s1
InChIKeyHWEIDWBLZOGTRI-KRWDZBQOSA-N
XLogP1.77
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97277457
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97278954
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72939253
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72839228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97276868) is 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is CN(C)c1ccc(CCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1.
What is the InChIKey of 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is HWEIDWBLZOGTRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-24(2)18-8-5-16(6-9-18)7-10-20(28)25-12-3-4-17(14-25)21-23-11-13-26(21)15-19(22)27/h5-6,8-9,11,13,17H,3-4,7,10,12,14-15H2,1-2H3,(H2,22,27)/t17-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97276868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).