(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone

C17H22N4O2 — CID 89080422

IUPAC(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1ncco1)C1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-20(12-16-19-8-11-23-16)15-6-9-21(10-7-15)17(22)13-2-4-14(18)5-3-13/h2-5,8,11,15H,6-7,9-10,12,18H2,1H3
InChIKeyUPDMIPQDMSBKQC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds4

About (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone

(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone (PubChem CID 89080422) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
PubChem CID89080422
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1ncco1)C1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H22N4O2/c1-20(12-16-19-8-11-23-16)15-6-9-21(10-7-15)17(22)13-2-4-14(18)5-3-13/h2-5,8,11,15H,6-7,9-10,12,18H2,1H3
InChIKeyUPDMIPQDMSBKQC-UHFFFAOYSA-N
XLogP1.99
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone 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

(4-aminophenyl)-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]methanone
CID 89080408
(4-aminophenyl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]piperidin-1-yl]methanone
CID 89185858
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
(4-aminophenyl)-(4-butan-2-ylazepan-1-yl)methanone
CID 123190801
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 129478573
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone
CID 154799862
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 128990864
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone (CID 89080422) is (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone is CN(Cc1ncco1)C1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone?
The InChIKey is UPDMIPQDMSBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(12-16-19-8-11-23-16)15-6-9-21(10-7-15)17(22)13-2-4-14(18)5-3-13/h2-5,8,11,15H,6-7,9-10,12,18H2,1H3.
What are the key properties of (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone?
(4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-[methyl(1,3-oxazol-2-ylmethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 89080422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).