N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C19H29N3O2 — CID 108966789

IUPACN-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)Nc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H29N3O2/c1-14-7-6-12-22(13-14)18(24)19(2,3)17(23)20-15-8-10-16(11-9-15)21(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,20,23)
InChIKeyQHRJGMHHQBKEMZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.98
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108966789) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108966789
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)C(C)(C)C(=O)Nc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H29N3O2/c1-14-7-6-12-22(13-14)18(24)19(2,3)17(23)20-15-8-10-16(11-9-15)21(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,20,23)
InChIKeyQHRJGMHHQBKEMZ-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966767
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959202
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966766
N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959216
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959945
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962002
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108966794
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966813
2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108958446

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108966789) is N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCCN(C(=O)C(C)(C)C(=O)Nc2ccc(N(C)C)cc2)C1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is QHRJGMHHQBKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-7-6-12-22(13-14)18(24)19(2,3)17(23)20-15-8-10-16(11-9-15)21(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 331.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108966789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).