2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C18H28N4O3 — CID 51339916

IUPAC2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)on1
InChIInChI=1S/C18H28N4O3/c1-14-12-17(25-20-14)19-16(23)13-21-10-6-15(7-11-21)18(24)22-8-4-2-3-5-9-22/h12,15H,2-11,13H2,1H3,(H,19,23)
InChIKeyHSKVTKHZMDUNRO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.04
Rot. Bonds4

About 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 51339916) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID51339916
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)on1
InChIInChI=1S/C18H28N4O3/c1-14-12-17(25-20-14)19-16(23)13-21-10-6-15(7-11-21)18(24)22-8-4-2-3-5-9-22/h12,15H,2-11,13H2,1H3,(H,19,23)
InChIKeyHSKVTKHZMDUNRO-UHFFFAOYSA-N
XLogP2.04
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide 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-(3-methyl-1,2-oxazol-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 51088987
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 51339916) is 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)on1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is HSKVTKHZMDUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14-12-17(25-20-14)19-16(23)13-21-10-6-15(7-11-21)18(24)22-8-4-2-3-5-9-22/h12,15H,2-11,13H2,1H3,(H,19,23).
What are the key properties of 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 51339916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).