N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide

C19H27N3O3 — CID 110822989

IUPACN-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(NC(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-13(2)12-18(24)21-17-8-10-22(11-9-17)19(25)15-4-6-16(7-5-15)20-14(3)23/h4-7,13,17H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyUAGBHEJBBFBODP-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide

N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 110822989) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID110822989
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(NC(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-13(2)12-18(24)21-17-8-10-22(11-9-17)19(25)15-4-6-16(7-5-15)20-14(3)23/h4-7,13,17H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyUAGBHEJBBFBODP-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide 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

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
CID 108549524
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide (CID 110822989) is N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide is CC(=O)Nc1ccc(C(=O)N2CCC(NC(=O)CC(C)C)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is UAGBHEJBBFBODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)12-18(24)21-17-8-10-22(11-9-17)19(25)15-4-6-16(7-5-15)20-14(3)23/h4-7,13,17H,8-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 345.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 110822989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).