N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride

C21H30ClN3O2 — CID 119314286

IUPACN-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-24(21(25)18-11-13-22-14-12-18)15-7-3-6-10-19-16-20(23-26-19)17-8-4-2-5-9-17;/h2,4-5,8-9,16,18,22H,3,6-7,10-15H2,1H3;1H
InChIKeyJZBDYEUKKRBYDL-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.93
Rot. Bonds8

About N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride

N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119314286) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119314286
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C21H29N3O2.ClH/c1-24(21(25)18-11-13-22-14-12-18)15-7-3-6-10-19-16-20(23-26-19)17-8-4-2-5-9-17;/h2,4-5,8-9,16,18,22H,3,6-7,10-15H2,1H3;1H
InChIKeyJZBDYEUKKRBYDL-UHFFFAOYSA-N
XLogP3.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
CID 119314301
2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
CID 120791531
3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide
CID 119758443
4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
CID 120628071
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
CID 95280776
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938140
2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767662
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride (CID 119314286) is N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride is CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JZBDYEUKKRBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c1-24(21(25)18-11-13-22-14-12-18)15-7-3-6-10-19-16-20(23-26-19)17-8-4-2-5-9-17;/h2,4-5,8-9,16,18,22H,3,6-7,10-15H2,1H3;1H.
What are the key properties of N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride?
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).