N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide

C19H29N3O2 — CID 51107106

IUPACN-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)22(18-7-5-15(3)6-8-18)13-19(24)20-17-9-11-21(12-10-17)16(4)23/h5-8,14,17H,9-13H2,1-4H3,(H,20,24)
InChIKeyGEHKXDPFELMUMD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.34
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide

N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide (PubChem CID 51107106) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
PubChem CID51107106
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)22(18-7-5-15(3)6-8-18)13-19(24)20-17-9-11-21(12-10-17)16(4)23/h5-8,14,17H,9-13H2,1-4H3,(H,20,24)
InChIKeyGEHKXDPFELMUMD-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide
CID 60522745
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
CID 60523581
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-N-propan-2-ylanilino)acetamide
CID 51103962
N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide
CID 95153800
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971076
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide (CID 51107106) is N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide is CC(=O)N1CCC(NC(=O)CN(c2ccc(C)cc2)C(C)C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
The InChIKey is GEHKXDPFELMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)22(18-7-5-15(3)6-8-18)13-19(24)20-17-9-11-21(12-10-17)16(4)23/h5-8,14,17H,9-13H2,1-4H3,(H,20,24).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide is sourced from PubChem (CID 51107106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).