1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one

C23H32N4O — CID 72903798

IUPAC1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
SMILESCN(C)c1ccc(CCC(=O)N2CCCC(c3nccn3CC3CC3)C2)cc1
InChIInChI=1S/C23H32N4O/c1-25(2)21-10-7-18(8-11-21)9-12-22(28)26-14-3-4-20(17-26)23-24-13-15-27(23)16-19-5-6-19/h7-8,10-11,13,15,19-20H,3-6,9,12,14,16-17H2,1-2H3
InChIKeyTUKZBNRQWNDKQE-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.70
Rot. Bonds7

About 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one

1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one (PubChem CID 72903798) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
PubChem CID72903798
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
SMILESCN(C)c1ccc(CCC(=O)N2CCCC(c3nccn3CC3CC3)C2)cc1
InChIInChI=1S/C23H32N4O/c1-25(2)21-10-7-18(8-11-21)9-12-22(28)26-14-3-4-20(17-26)23-24-13-15-27(23)16-19-5-6-19/h7-8,10-11,13,15,19-20H,3-6,9,12,14,16-17H2,1-2H3
InChIKeyTUKZBNRQWNDKQE-UHFFFAOYSA-N
XLogP3.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276868
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042
N-[3-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-methylmethanesulfonamide
CID 72931230
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97286189
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 70723901

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one?
The IUPAC name of 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one (CID 72903798) is 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one is CN(C)c1ccc(CCC(=O)N2CCCC(c3nccn3CC3CC3)C2)cc1.
What is the InChIKey of 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one?
The InChIKey is TUKZBNRQWNDKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-25(2)21-10-7-18(8-11-21)9-12-22(28)26-14-3-4-20(17-26)23-24-13-15-27(23)16-19-5-6-19/h7-8,10-11,13,15,19-20H,3-6,9,12,14,16-17H2,1-2H3.
What are the key properties of 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one?
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one has a molecular weight of 380.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one is sourced from PubChem (CID 72903798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).